1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one

C16H23NO — CID 760213

IUPAC1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-13(2)16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyVACPZZBFCLJGKU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds3

About 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one

1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 760213) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID760213
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-13(2)16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyVACPZZBFCLJGKU-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one (CID 760213) is 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is VACPZZBFCLJGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one?
1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 760213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).