(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone

C14H18ClNO2 — CID 115269415

IUPAC(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCC(O)CN1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-14(2)8-7-10(17)9-16(14)13(18)11-5-3-4-6-12(11)15/h3-6,10,17H,7-9H2,1-2H3
InChIKeyAVTXEZRHMTYFSK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.72
Rot. Bonds1

About (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone

(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone (PubChem CID 115269415) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
PubChem CID115269415
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCC(O)CN1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-14(2)8-7-10(17)9-16(14)13(18)11-5-3-4-6-12(11)15/h3-6,10,17H,7-9H2,1-2H3
InChIKeyAVTXEZRHMTYFSK-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269397
2-(2-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269420
(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 115275398
(2-chlorophenyl)-[(3S,4S)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone
CID 133119992
2-(4-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269412
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
CID 117020860
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62941529
(2-chlorophenyl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164417
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone (CID 115269415) is (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone is CC1(C)CCC(O)CN1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The InChIKey is AVTXEZRHMTYFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2)8-7-10(17)9-16(14)13(18)11-5-3-4-6-12(11)15/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115269415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).