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

C12H22N2O — CID 119374903

IUPAC(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
SMILESCCC1(C)CC1C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H22N2O/c1-3-12(2)8-10(12)11(15)14-6-4-9(13)5-7-14/h9-10H,3-8,13H2,1-2H3
InChIKeyRXSDPOIMJFCGKH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone

(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone (PubChem CID 119374903) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
PubChem CID119374903
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
SMILESCCC1(C)CC1C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H22N2O/c1-3-12(2)8-10(12)11(15)14-6-4-9(13)5-7-14/h9-10H,3-8,13H2,1-2H3
InChIKeyRXSDPOIMJFCGKH-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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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone (CID 119374903) is (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone is CCC1(C)CC1C(=O)N1CCC(N)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone?
The InChIKey is RXSDPOIMJFCGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-12(2)8-10(12)11(15)14-6-4-9(13)5-7-14/h9-10H,3-8,13H2,1-2H3.
What are the key properties of (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone?
(4-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 (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone is sourced from PubChem (CID 119374903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).