1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one

C12H21NO2 — CID 70972600

IUPAC1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one
SMILESO=C1CCCCN1C1CCC(CO)CC1
InChIInChI=1S/C12H21NO2/c14-9-10-4-6-11(7-5-10)13-8-2-1-3-12(13)15/h10-11,14H,1-9H2
InChIKeyZLUKUQUMPOGVET-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.55
Rot. Bonds2

About 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one

1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one (PubChem CID 70972600) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one
PubChem CID70972600
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one
SMILESO=C1CCCCN1C1CCC(CO)CC1
InChIInChI=1S/C12H21NO2/c14-9-10-4-6-11(7-5-10)13-8-2-1-3-12(13)15/h10-11,14H,1-9H2
InChIKeyZLUKUQUMPOGVET-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one (CID 70972600) is 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one is O=C1CCCCN1C1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one?
The InChIKey is ZLUKUQUMPOGVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-10-4-6-11(7-5-10)13-8-2-1-3-12(13)15/h10-11,14H,1-9H2.
What are the key properties of 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one?
1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexyl]piperidin-2-one is sourced from PubChem (CID 70972600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).