2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C20H23ClN2O2 — CID 110311432

IUPAC2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(C(Cc1cccnc1)c1ccc(Cl)cc1)N1CCCC(CO)C1
InChIInChI=1S/C20H23ClN2O2/c21-18-7-5-17(6-8-18)19(11-15-3-1-9-22-12-15)20(25)23-10-2-4-16(13-23)14-24/h1,3,5-9,12,16,19,24H,2,4,10-11,13-14H2
InChIKeyIAWCDVIXODDWRM-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 110311432) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID110311432
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(C(Cc1cccnc1)c1ccc(Cl)cc1)N1CCCC(CO)C1
InChIInChI=1S/C20H23ClN2O2/c21-18-7-5-17(6-8-18)19(11-15-3-1-9-22-12-15)20(25)23-10-2-4-16(13-23)14-24/h1,3,5-9,12,16,19,24H,2,4,10-11,13-14H2
InChIKeyIAWCDVIXODDWRM-UHFFFAOYSA-N
XLogP3.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 110310019
2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide
CID 110301790
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110296415
1-[3-(hydroxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutane-1,4-dione
CID 110633263
2-(4-fluorophenyl)-1-morpholin-4-yl-3-pyridin-3-ylpropan-1-one
CID 110296410
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110624572
[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110609353

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 110311432) is 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is O=C(C(Cc1cccnc1)c1ccc(Cl)cc1)N1CCCC(CO)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is IAWCDVIXODDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-18-7-5-17(6-8-18)19(11-15-3-1-9-22-12-15)20(25)23-10-2-4-16(13-23)14-24/h1,3,5-9,12,16,19,24H,2,4,10-11,13-14H2.
What are the key properties of 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 358.87 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 110311432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).