3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one

C12H14ClNO2 — CID 143301820

IUPAC3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one
SMILESO=C1NCCCC1Cc1c(O)cccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-10-4-1-5-11(15)9(10)7-8-3-2-6-14-12(8)16/h1,4-5,8,15H,2-3,6-7H2,(H,14,16)
InChIKeyNVGOQTAWSQQOLA-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.11
Rot. Bonds2

About 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one

3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one (PubChem CID 143301820) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one
PubChem CID143301820
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one
SMILESO=C1NCCCC1Cc1c(O)cccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-10-4-1-5-11(15)9(10)7-8-3-2-6-14-12(8)16/h1,4-5,8,15H,2-3,6-7H2,(H,14,16)
InChIKeyNVGOQTAWSQQOLA-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one?
The IUPAC name of 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one (CID 143301820) is 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one is O=C1NCCCC1Cc1c(O)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one?
The InChIKey is NVGOQTAWSQQOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-1-5-11(15)9(10)7-8-3-2-6-14-12(8)16/h1,4-5,8,15H,2-3,6-7H2,(H,14,16).
What are the key properties of 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one?
3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one has a molecular weight of 239.70 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 143301820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).