3-phenylpiperidine;hydrochloride

C11H16ClN — CID 17390008

IUPAC3-phenylpiperidine;hydrochloride
SMILESCl.c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C11H15N.ClH/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h1-3,5-6,11-12H,4,7-9H2;1H
InChIKeyOKVMJYYCFLIGFJ-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.58
Rot. Bonds1

About 3-phenylpiperidine;hydrochloride

3-phenylpiperidine;hydrochloride (PubChem CID 17390008) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-phenylpiperidine;hydrochloride
PubChem CID17390008
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-phenylpiperidine;hydrochloride
SMILESCl.c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C11H15N.ClH/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h1-3,5-6,11-12H,4,7-9H2;1H
InChIKeyOKVMJYYCFLIGFJ-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpiperidine;hydrochloride?
The IUPAC name of 3-phenylpiperidine;hydrochloride (CID 17390008) is 3-phenylpiperidine;hydrochloride.
What is the SMILES notation for 3-phenylpiperidine;hydrochloride?
The canonical SMILES for 3-phenylpiperidine;hydrochloride is Cl.c1ccc(C2CCCNC2)cc1.
What is the InChIKey of 3-phenylpiperidine;hydrochloride?
The InChIKey is OKVMJYYCFLIGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h1-3,5-6,11-12H,4,7-9H2;1H.
What are the key properties of 3-phenylpiperidine;hydrochloride?
3-phenylpiperidine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpiperidine;hydrochloride is sourced from PubChem (CID 17390008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).