3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one

C12H22N2O2 — CID 106367861

IUPAC3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one
SMILESNC1CCCN(C2CCCCC2CO)C1=O
InChIInChI=1S/C12H22N2O2/c13-10-5-3-7-14(12(10)16)11-6-2-1-4-9(11)8-15/h9-11,15H,1-8,13H2
InChIKeyDHIFOMPSHPYROI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds2

About 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one

3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one (PubChem CID 106367861) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one
PubChem CID106367861
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one
SMILESNC1CCCN(C2CCCCC2CO)C1=O
InChIInChI=1S/C12H22N2O2/c13-10-5-3-7-14(12(10)16)11-6-2-1-4-9(11)8-15/h9-11,15H,1-8,13H2
InChIKeyDHIFOMPSHPYROI-UHFFFAOYSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(9R,9aR)-9-(hydroxymethyl)-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 130756851
(1S,8aS)-1-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10888327
3-amino-1-(4-methylthiolan-3-yl)piperidin-2-one
CID 130825799
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
6-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 117273495
2-[2-(hydroxymethyl)cyclopentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 106364697
[(2S)-2-(azetidin-1-yl)cyclohexyl]methanol
CID 58117124
(3S)-3-amino-1-hydroxyazepan-2-one
CID 16752816
2-[2-(hydroxymethyl)cyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 106364689
3-amino-1-(4-hydroxybutyl)piperidin-2-one
CID 106846824
3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 64912759
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one?
The IUPAC name of 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one (CID 106367861) is 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one.
What is the SMILES notation for 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one?
The canonical SMILES for 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one is NC1CCCN(C2CCCCC2CO)C1=O.
What is the InChIKey of 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one?
The InChIKey is DHIFOMPSHPYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-10-5-3-7-14(12(10)16)11-6-2-1-4-9(11)8-15/h9-11,15H,1-8,13H2.
What are the key properties of 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one?
3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one is sourced from PubChem (CID 106367861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).