4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride

C22H28ClNO — CID 67760412

IUPAC4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H27NO.ClH/c24-22(21-10-5-2-6-11-21)12-7-15-23-16-13-20(14-17-23)18-19-8-3-1-4-9-19;/h1-6,8-11,20H,7,12-18H2;1H
InChIKeyXJWULGMIOYKOGT-UHFFFAOYSA-N
MW357.93 g/mol
LogP5.03
Rot. Bonds7

About 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride

4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride (PubChem CID 67760412) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride
PubChem CID67760412
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H27NO.ClH/c24-22(21-10-5-2-6-11-21)12-7-15-23-16-13-20(14-17-23)18-19-8-3-1-4-9-19;/h1-6,8-11,20H,7,12-18H2;1H
InChIKeyXJWULGMIOYKOGT-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.93
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Tolperisone Hydrochloride
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Melperone hydrochloride
CID 9926325
Isomethadone
CID 10072
Eperisone Hydrochloride
CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
Lenperone
CID 32593
Norpipanone
CID 22391
DuP 734
CID 121967
3-Piperidinopropiophenone hydrochloride
CID 70171

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride (CID 67760412) is 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride is Cl.O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride?
The InChIKey is XJWULGMIOYKOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO.ClH/c24-22(21-10-5-2-6-11-21)12-7-15-23-16-13-20(14-17-23)18-19-8-3-1-4-9-19;/h1-6,8-11,20H,7,12-18H2;1H.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride?
4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-1-phenylbutan-1-one;hydrochloride is sourced from PubChem (CID 67760412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).