(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone

C13H24N2O — CID 81458507

IUPAC(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C13H24N2O/c1-10-4-6-11(7-5-10)13(16)15-8-2-3-12(14)9-15/h10-12H,2-9,14H2,1H3
InChIKeyLIUNECNQQREDRE-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone

(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone (PubChem CID 81458507) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
PubChem CID81458507
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C13H24N2O/c1-10-4-6-11(7-5-10)13(16)15-8-2-3-12(14)9-15/h10-12H,2-9,14H2,1H3
InChIKeyLIUNECNQQREDRE-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119377515
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930
(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 61295519
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
CID 60849021
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 115775330

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone (CID 81458507) is (3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCCC(N)C2)CC1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone?
The InChIKey is LIUNECNQQREDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-4-6-11(7-5-10)13(16)15-8-2-3-12(14)9-15/h10-12H,2-9,14H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone?
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.76, 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)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 81458507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).