1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one

C13H23NO2 — CID 172590869

IUPAC1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one
SMILESO=C1CCN(CC2CCC(CO)CC2)CC1
InChIInChI=1S/C13H23NO2/c15-10-12-3-1-11(2-4-12)9-14-7-5-13(16)6-8-14/h11-12,15H,1-10H2
InChIKeySNKXVHQABJQASW-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.45
Rot. Bonds3

About 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one

1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one (PubChem CID 172590869) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one
PubChem CID172590869
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one
SMILESO=C1CCN(CC2CCC(CO)CC2)CC1
InChIInChI=1S/C13H23NO2/c15-10-12-3-1-11(2-4-12)9-14-7-5-13(16)6-8-14/h11-12,15H,1-10H2
InChIKeySNKXVHQABJQASW-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one
CID 10750918
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921
1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123
1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
CID 62024607
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
1-(2-hydroxyethyl)piperidin-4-one
CID 15006446
ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate
CID 67936903
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 164656319
methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate
CID 169226173
1-[(3-methylcyclopentyl)methyl]pyrrolidin-3-one
CID 107413455
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one?
The IUPAC name of 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one (CID 172590869) is 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one.
What is the SMILES notation for 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one?
The canonical SMILES for 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one is O=C1CCN(CC2CCC(CO)CC2)CC1.
What is the InChIKey of 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one?
The InChIKey is SNKXVHQABJQASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-10-12-3-1-11(2-4-12)9-14-7-5-13(16)6-8-14/h11-12,15H,1-10H2.
What are the key properties of 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one?
1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one has a molecular weight of 225.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one is sourced from PubChem (CID 172590869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).