1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone

C16H22ClNO2 — CID 539889

IUPAC1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(C)(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-12(19)18-9-7-13(8-10-18)11-16(2,20)14-3-5-15(17)6-4-14/h3-6,13,20H,7-11H2,1-2H3
InChIKeyWDGMSCOQBCAROJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.20
Rot. Bonds3

About 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone

1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone (PubChem CID 539889) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone
PubChem CID539889
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(C)(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-12(19)18-9-7-13(8-10-18)11-16(2,20)14-3-5-15(17)6-4-14/h3-6,13,20H,7-11H2,1-2H3
InChIKeyWDGMSCOQBCAROJ-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone (CID 539889) is 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CC(C)(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone?
The InChIKey is WDGMSCOQBCAROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12(19)18-9-7-13(8-10-18)11-16(2,20)14-3-5-15(17)6-4-14/h3-6,13,20H,7-11H2,1-2H3.
What are the key properties of 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone?
1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone has a molecular weight of 295.81 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 539889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).