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430461-56-6 molecular structure
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(3R)-3-phenylpiperidine

ChemBase ID: 287480
Molecular Formular: C11H15N
Molecular Mass: 161.2435
Monoisotopic Mass: 161.12044949
SMILES and InChIs

SMILES:
[C@@H]1(c2ccccc2)CNCCC1
Canonical SMILES:
C1CC[C@@H](CN1)c1ccccc1
InChI:
InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2/t11-/m0/s1
InChIKey:
NZYBILDYPCVNMU-NSHDSACASA-N

Cite this record

CBID:287480 http://www.chembase.cn/molecule-287480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-3-phenylpiperidine
IUPAC Traditional name
(3R)-3-phenylpiperidine
Synonyms
(R)-3-Phenylpiperidine
CAS Number
430461-56-6
PubChem SID
180673011
PubChem CID
7015603

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD150175 Please log in.
Data Source Data ID
PubChem 7015603 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0659345  LogD (pH = 7.4) -0.41349286 
Log P 2.1562645  Molar Refractivity 51.402 cm3
Polarizability 20.311394 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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