phenyl(piperidin-4-yl)methanone;hydrochloride

C12H16ClNO — CID 2724437

IUPACphenyl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)C1CCNCC1
InChIInChI=1S/C12H15NO.ClH/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-5,11,13H,6-9H2;1H
InChIKeyNXYKIFZJQXOUJS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.29
Rot. Bonds2

About phenyl(piperidin-4-yl)methanone;hydrochloride

phenyl(piperidin-4-yl)methanone;hydrochloride (PubChem CID 2724437) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is phenyl(piperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Namephenyl(piperidin-4-yl)methanone;hydrochloride
PubChem CID2724437
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Namephenyl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)C1CCNCC1
InChIInChI=1S/C12H15NO.ClH/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-5,11,13H,6-9H2;1H
InChIKeyNXYKIFZJQXOUJS-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl(piperidin-4-yl)methanone;hydrochloride?
The IUPAC name of phenyl(piperidin-4-yl)methanone;hydrochloride (CID 2724437) is phenyl(piperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for phenyl(piperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for phenyl(piperidin-4-yl)methanone;hydrochloride is Cl.O=C(c1ccccc1)C1CCNCC1.
What is the InChIKey of phenyl(piperidin-4-yl)methanone;hydrochloride?
The InChIKey is NXYKIFZJQXOUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-5,11,13H,6-9H2;1H.
What are the key properties of phenyl(piperidin-4-yl)methanone;hydrochloride?
phenyl(piperidin-4-yl)methanone;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(piperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 2724437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).