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214759-73-6 molecular structure
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[4-(piperidin-1-yl)phenyl]methanamine

ChemBase ID: 31063
Molecular Formular: C12H18N2
Molecular Mass: 190.28472
Monoisotopic Mass: 190.14699859
SMILES and InChIs

SMILES:
N1(c2ccc(cc2)CN)CCCCC1
Canonical SMILES:
NCc1ccc(cc1)N1CCCCC1
InChI:
InChI=1S/C12H18N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-10,13H2
InChIKey:
WROBJEHXMLQDQP-UHFFFAOYSA-N

Cite this record

CBID:31063 http://www.chembase.cn/molecule-31063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(piperidin-1-yl)phenyl]methanamine
IUPAC Traditional name
[4-(piperidin-1-yl)phenyl]methanamine
Synonyms
(4-piperidinophenyl)methylamine
[4-(piperidin-1-yl)phenyl]methanamine
(4-(Piperidin-1-yl)phenyl)methanamine
4-Piperidin-1-yl-benzylamine
4-(Piperidin-1yl)benzylamine
1-[4-(Aminomethyl)phenyl]piperidine
[4-(Piperidin-1-yl)phenyl]methylamine
CAS Number
214759-73-6
MDL Number
MFCD06659080
PubChem SID
160994370
PubChem CID
2795551

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0969352  LogD (pH = 7.4) -0.10902286 
Log P 2.0574243  Molar Refractivity 61.102 cm3
Polarizability 23.346897 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)
2.452 expand Show data source
Storage Warning
Corrosive/Harmful expand Show data source
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
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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