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76000-08-3 molecular structure
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4-(3-phenylpropyl)piperidine hydrochloride

ChemBase ID: 813553
Molecular Formular: C14H22ClN
Molecular Mass: 239.78418
Monoisotopic Mass: 239.14407739
SMILES and InChIs

SMILES:
Cl.C1(CCNCC1)CCCc1ccccc1
Canonical SMILES:
N1CCC(CC1)CCCc1ccccc1.Cl
InChI:
InChI=1S/C14H21N.ClH/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;/h1-3,5-6,14-15H,4,7-12H2;1H
InChIKey:
DTYWENFVDLKMSK-UHFFFAOYSA-N

Cite this record

CBID:813553 http://www.chembase.cn/molecule-813553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-phenylpropyl)piperidine hydrochloride
IUPAC Traditional name
4-(3-phenylpropyl)piperidine hydrochloride
Synonyms
4-(3-PHENYL-PROPYL)-PIPERIDINE HCL
CAS Number
76000-08-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35327 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35327 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.18042822  LogD (pH = 7.4) 0.6367443 
Log P 3.4120166  Molar Refractivity 65.282 cm3
Polarizability 25.854467 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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