(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C13H16ClNO2 — CID 43421627

IUPAC(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCCC1CO
InChIInChI=1S/C13H16ClNO2/c14-11-5-3-4-10(8-11)13(17)15-7-2-1-6-12(15)9-16/h3-5,8,12,16H,1-2,6-7,9H2
InChIKeyAVUVTUMPLUTOSY-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.33
Rot. Bonds2

About (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43421627) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43421627
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCCC1CO
InChIInChI=1S/C13H16ClNO2/c14-11-5-3-4-10(8-11)13(17)15-7-2-1-6-12(15)9-16/h3-5,8,12,16H,1-2,6-7,9H2
InChIKeyAVUVTUMPLUTOSY-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
3-[2-(hydroxymethyl)piperidine-1-carbonyl]benzenecarbothioamide
CID 61407355
[3-(aminomethyl)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633838
(3-chloro-5-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635898
(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351034
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 43421306
(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351035
2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421400
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43421627) is (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCCCC1CO.
What is the InChIKey of (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is AVUVTUMPLUTOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-5-3-4-10(8-11)13(17)15-7-2-1-6-12(15)9-16/h3-5,8,12,16H,1-2,6-7,9H2.
What are the key properties of (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 253.73 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43421627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).