3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one

C12H21NO2 — CID 165460765

IUPAC3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one
SMILESO=C1NCCCC1CC1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c14-11-5-3-9(4-6-11)8-10-2-1-7-13-12(10)15/h9-11,14H,1-8H2,(H,13,15)
InChIKeyFNIIPUNHZLLJOV-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.45
Rot. Bonds2

About 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one

3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one (PubChem CID 165460765) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one
PubChem CID165460765
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one
SMILESO=C1NCCCC1CC1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c14-11-5-3-9(4-6-11)8-10-2-1-7-13-12(10)15/h9-11,14H,1-8H2,(H,13,15)
InChIKeyFNIIPUNHZLLJOV-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylmethyl)piperidin-2-one
CID 104679133
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 130599733
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
(3S)-3-hydroxypiperidin-2-one;hydrochloride
CID 154574764
3-(2-ethyl-2-hydroxybutyl)piperidin-2-one
CID 114497694
3-but-2-ynylpiperidin-2-one
CID 104679069
cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one
CID 165353092
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one?
The IUPAC name of 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one (CID 165460765) is 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one is O=C1NCCCC1CC1CCC(O)CC1.
What is the InChIKey of 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one?
The InChIKey is FNIIPUNHZLLJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11-5-3-9(4-6-11)8-10-2-1-7-13-12(10)15/h9-11,14H,1-8H2,(H,13,15).
What are the key properties of 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one?
3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one is sourced from PubChem (CID 165460765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).