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82378-85-6 molecular structure
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1-(thiophen-2-ylmethyl)piperidin-4-amine

ChemBase ID: 37127
Molecular Formular: C10H16N2S
Molecular Mass: 196.31244
Monoisotopic Mass: 196.10341952
SMILES and InChIs

SMILES:
N1(Cc2sccc2)CCC(CC1)N
Canonical SMILES:
NC1CCN(CC1)Cc1cccs1
InChI:
InChI=1S/C10H16N2S/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10/h1-2,7,9H,3-6,8,11H2
InChIKey:
NQQVCDIEQDMPOD-UHFFFAOYSA-N

Cite this record

CBID:37127 http://www.chembase.cn/molecule-37127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(thiophen-2-ylmethyl)piperidin-4-amine
IUPAC Traditional name
1-(thiophen-2-ylmethyl)piperidin-4-amine
Synonyms
1-(thiophen-2-ylmethyl)piperidin-4-amine
1-(2-Thienylmethyl)piperidin-4-amine
1-(2-thienylmethyl)-4-piperidinamine
CAS Number
82378-85-6
MDL Number
MFCD10005762
PubChem SID
161000434
PubChem CID
17221638

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17221638 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.375049  LogD (pH = 7.4) -2.309503 
Log P 1.0387018  Molar Refractivity 56.8724 cm3
Polarizability 22.350176 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.828 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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