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534595-53-4 molecular structure
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N-(propan-2-yl)piperidin-4-amine

ChemBase ID: 171948
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
C1C(CCNC1)NC(C)C
Canonical SMILES:
CC(NC1CCNCC1)C
InChI:
InChI=1S/C8H18N2/c1-7(2)10-8-3-5-9-6-4-8/h7-10H,3-6H2,1-2H3
InChIKey:
GINABUAPACIWCA-UHFFFAOYSA-N

Cite this record

CBID:171948 http://www.chembase.cn/molecule-171948.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(propan-2-yl)piperidin-4-amine
IUPAC Traditional name
N-isopropylpiperidin-4-amine
Synonyms
N-(propan-2-yl)piperidin-4-amine
N-(1-Methylethyl)-4-piperidinamine
N-(1-Methylethyl)-4-isopropylaminopiperidine
Isopropyl(piperidin-4-yl)amine
N-Isopropylpiperidin-4-amine
CAS Number
534595-53-4
MDL Number
MFCD12778506
PubChem SID
164227858
PubChem CID
22394351

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22394351 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.6692476  LogD (pH = 7.4) -3.7491722 
Log P 0.2242627  Molar Refractivity 44.0172 cm3
Polarizability 17.811394 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.068 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - I872920 external link
Intermediate used in preparation of 6-substituted benzoxazines as 5-HT5A antagonists for treatment of mental disorders.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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