(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone

C12H22N2O — CID 119379514

IUPAC(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
SMILESCCC1(C)CC1C(=O)N1CCCC(N)C1
InChIInChI=1S/C12H22N2O/c1-3-12(2)7-10(12)11(15)14-6-4-5-9(13)8-14/h9-10H,3-8,13H2,1-2H3
InChIKeyMCUXEAYEYOJMAJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone

(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone (PubChem CID 119379514) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
PubChem CID119379514
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
SMILESCCC1(C)CC1C(=O)N1CCCC(N)C1
InChIInChI=1S/C12H22N2O/c1-3-12(2)7-10(12)11(15)14-6-4-5-9(13)8-14/h9-10H,3-8,13H2,1-2H3
InChIKeyMCUXEAYEYOJMAJ-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119374903
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 119374902
[(3R)-3-aminopiperidin-1-yl]-(2,2-difluorocyclopropyl)methanone;hydrochloride
CID 165368966
(3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride
CID 130874964
(2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561939
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595294
[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 125147204
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone (CID 119379514) is (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone is CCC1(C)CC1C(=O)N1CCCC(N)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone?
The InChIKey is MCUXEAYEYOJMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-12(2)7-10(12)11(15)14-6-4-5-9(13)8-14/h9-10H,3-8,13H2,1-2H3.
What are the key properties of (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone?
(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone is sourced from PubChem (CID 119379514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).