2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone

C19H34N2O — CID 163117426

IUPAC2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone
SMILESNC1CCCCN1CC(=O)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C19H34N2O/c20-19-8-4-5-13-21(19)14-18(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h15-17,19H,1-14,20H2
InChIKeyPQGYGARYMHQGCC-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.71
Rot. Bonds4

About 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone

2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone (PubChem CID 163117426) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone
PubChem CID163117426
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone
SMILESNC1CCCCN1CC(=O)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C19H34N2O/c20-19-8-4-5-13-21(19)14-18(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h15-17,19H,1-14,20H2
InChIKeyPQGYGARYMHQGCC-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone?
The IUPAC name of 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone (CID 163117426) is 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone?
The canonical SMILES for 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone is NC1CCCCN1CC(=O)C1CCC(C2CCCCC2)CC1.
What is the InChIKey of 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone?
The InChIKey is PQGYGARYMHQGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c20-19-8-4-5-13-21(19)14-18(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h15-17,19H,1-14,20H2.
What are the key properties of 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone?
2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone has a molecular weight of 306.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone is sourced from PubChem (CID 163117426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).