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

C16H23NO2 — CID 10801401

IUPAC1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-16(2,19)15(18)17-10-8-14(9-11-17)12-13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3
InChIKeyQLZFREJVUWIFMT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.24
Rot. Bonds3

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

1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 10801401) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID10801401
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-16(2,19)15(18)17-10-8-14(9-11-17)12-13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3
InChIKeyQLZFREJVUWIFMT-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one (CID 10801401) is 1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is QLZFREJVUWIFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,19)15(18)17-10-8-14(9-11-17)12-13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 10801401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).