3-phenylpiperidin-4-one;hydrochloride

C11H14ClNO — CID 11947943

IUPAC3-phenylpiperidin-4-one;hydrochloride
SMILESCl.O=C1CCNCC1c1ccccc1
InChIInChI=1S/C11H13NO.ClH/c13-11-6-7-12-8-10(11)9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H
InChIKeyHOJGAGIASQIDPQ-UHFFFAOYSA-N
MW211.69 g/mol
LogP1.75
Rot. Bonds1

About 3-phenylpiperidin-4-one;hydrochloride

3-phenylpiperidin-4-one;hydrochloride (PubChem CID 11947943) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-phenylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-phenylpiperidin-4-one;hydrochloride
PubChem CID11947943
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-phenylpiperidin-4-one;hydrochloride
SMILESCl.O=C1CCNCC1c1ccccc1
InChIInChI=1S/C11H13NO.ClH/c13-11-6-7-12-8-10(11)9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H
InChIKeyHOJGAGIASQIDPQ-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpiperidin-4-one;hydrochloride?
The IUPAC name of 3-phenylpiperidin-4-one;hydrochloride (CID 11947943) is 3-phenylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 3-phenylpiperidin-4-one;hydrochloride?
The canonical SMILES for 3-phenylpiperidin-4-one;hydrochloride is Cl.O=C1CCNCC1c1ccccc1.
What is the InChIKey of 3-phenylpiperidin-4-one;hydrochloride?
The InChIKey is HOJGAGIASQIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.ClH/c13-11-6-7-12-8-10(11)9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H.
What are the key properties of 3-phenylpiperidin-4-one;hydrochloride?
3-phenylpiperidin-4-one;hydrochloride has a molecular weight of 211.69 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 11947943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).