(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone

C13H24N2O — CID 103840779

IUPAC(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCCC(N)C2)CCCCC1
InChIInChI=1S/C13H24N2O/c1-13(7-3-2-4-8-13)12(16)15-9-5-6-11(14)10-15/h11H,2-10,14H2,1H3
InChIKeyUCANHGXESIVBCD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone

(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone (PubChem CID 103840779) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
PubChem CID103840779
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCCC(N)C2)CCCCC1
InChIInChI=1S/C13H24N2O/c1-13(7-3-2-4-8-13)12(16)15-9-5-6-11(14)10-15/h11H,2-10,14H2,1H3
InChIKeyUCANHGXESIVBCD-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
ethyl (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81345163
ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81344303
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124373
(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
CID 119380695
(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 106829116
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 105081761
(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119378259
(4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride
CID 119592406
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828121
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone (CID 103840779) is (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone is CC1(C(=O)N2CCCC(N)C2)CCCCC1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone?
The InChIKey is UCANHGXESIVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(7-3-2-4-8-13)12(16)15-9-5-6-11(14)10-15/h11H,2-10,14H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone?
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 103840779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).