3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one

C14H18ClNO2 — CID 93032761

IUPAC3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1Cl)N1CCC[C@H](O)C1
InChIInChI=1S/C14H18ClNO2/c15-13-6-2-1-4-11(13)7-8-14(18)16-9-3-5-12(17)10-16/h1-2,4,6,12,17H,3,5,7-10H2/t12-/m0/s1
InChIKeyMLVDMZQZRLMZPL-LBPRGKRZSA-N
MW267.76 g/mol
LogP2.26
Rot. Bonds3

About 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one

3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 93032761) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
PubChem CID93032761
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1Cl)N1CCC[C@H](O)C1
InChIInChI=1S/C14H18ClNO2/c15-13-6-2-1-4-11(13)7-8-14(18)16-9-3-5-12(17)10-16/h1-2,4,6,12,17H,3,5,7-10H2/t12-/m0/s1
InChIKeyMLVDMZQZRLMZPL-LBPRGKRZSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 125146242
3-(2-hydroxyphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291219
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one
CID 115277015
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390712
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 51680982
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one (CID 93032761) is 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one is O=C(CCc1ccccc1Cl)N1CCC[C@H](O)C1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is MLVDMZQZRLMZPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-13-6-2-1-4-11(13)7-8-14(18)16-9-3-5-12(17)10-16/h1-2,4,6,12,17H,3,5,7-10H2/t12-/m0/s1.
What are the key properties of 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one has a molecular weight of 267.76 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 93032761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).