4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one

C12H21NO2 — CID 114762063

IUPAC4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
SMILESO=C1CCC(N2CCCC(CO)C2)CC1
InChIInChI=1S/C12H21NO2/c14-9-10-2-1-7-13(8-10)11-3-5-12(15)6-4-11/h10-11,14H,1-9H2
InChIKeyPJHXTAPOOQUFFY-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.20
Rot. Bonds2

About 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one

4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one (PubChem CID 114762063) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
PubChem CID114762063
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
SMILESO=C1CCC(N2CCCC(CO)C2)CC1
InChIInChI=1S/C12H21NO2/c14-9-10-2-1-7-13(8-10)11-3-5-12(15)6-4-11/h10-11,14H,1-9H2
InChIKeyPJHXTAPOOQUFFY-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one?
The IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one (CID 114762063) is 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one is O=C1CCC(N2CCCC(CO)C2)CC1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one?
The InChIKey is PJHXTAPOOQUFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-10-2-1-7-13(8-10)11-3-5-12(15)6-4-11/h10-11,14H,1-9H2.
What are the key properties of 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one?
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 114762063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).