1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one

C12H21NO2 — CID 114500345

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one
SMILESCC1CN(CC2(O)CCCC2)CCC1=O
InChIInChI=1S/C12H21NO2/c1-10-8-13(7-4-11(10)14)9-12(15)5-2-3-6-12/h10,15H,2-9H2,1H3
InChIKeyPVZDPVUQXAFZNP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.20
Rot. Bonds2

About 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one

1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one (PubChem CID 114500345) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one
PubChem CID114500345
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one
SMILESCC1CN(CC2(O)CCCC2)CCC1=O
InChIInChI=1S/C12H21NO2/c1-10-8-13(7-4-11(10)14)9-12(15)5-2-3-6-12/h10,15H,2-9H2,1H3
InChIKeyPVZDPVUQXAFZNP-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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Related Compounds

1-[(3-amino-4-methylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65212437
1-(2,3-dihydroxypropyl)-3-methylpiperidin-4-one
CID 114500290
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol
CID 115277735
N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500179
(Z)-2-methyl-4-(3-methyl-4-oxopiperidin-1-yl)but-2-enoic acid
CID 114501182
(3S)-3-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-one
CID 129445742
2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide
CID 114501145
1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one
CID 130532303
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
1-(cyclohexanecarbonyl)-3-methylpiperidin-4-one
CID 114499917
1-[(1-hydroxycyclohexyl)methyl]piperidine-3-carboxylic acid
CID 65213320
1-[(3-ethoxyazetidin-1-yl)methyl]cyclopentan-1-ol
CID 126846884

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one (CID 114500345) is 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one is CC1CN(CC2(O)CCCC2)CCC1=O.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one?
The InChIKey is PVZDPVUQXAFZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-8-13(7-4-11(10)14)9-12(15)5-2-3-6-12/h10,15H,2-9H2,1H3.
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one?
1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-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 1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 114500345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).