4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride

C25H26ClNO — CID 23025462

IUPAC4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride
SMILESCl.O=C1CN(Cc2ccccc2)CCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO.ClH/c27-24-19-26(18-20-10-4-1-5-11-20)17-16-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,23,25H,16-19H2;1H
InChIKeyUKNBUNZJVITEIQ-UHFFFAOYSA-N
MW391.94 g/mol
LogP5.33
Rot. Bonds5

About 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride

4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride (PubChem CID 23025462) has the molecular formula C25H26ClNO and a molecular weight of 391.94 g/mol. Its IUPAC name is 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride
PubChem CID23025462
Molecular FormulaC25H26ClNO
Molecular Weight391.94 g/mol
Exact Mass391.17
IUPAC Name4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride
SMILESCl.O=C1CN(Cc2ccccc2)CCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO.ClH/c27-24-19-26(18-20-10-4-1-5-11-20)17-16-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,23,25H,16-19H2;1H
InChIKeyUKNBUNZJVITEIQ-UHFFFAOYSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.94
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride?
The IUPAC name of 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride (CID 23025462) is 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride?
The canonical SMILES for 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride is Cl.O=C1CN(Cc2ccccc2)CCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride?
The InChIKey is UKNBUNZJVITEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO.ClH/c27-24-19-26(18-20-10-4-1-5-11-20)17-16-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,23,25H,16-19H2;1H.
What are the key properties of 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride?
4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-1-benzylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 23025462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).