1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone

C16H30N2O — CID 120820005

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(CC(=O)N2CCC(N)C(C)(C)C2)C1
InChIInChI=1S/C16H30N2O/c1-12-5-4-6-13(9-12)10-15(19)18-8-7-14(17)16(2,3)11-18/h12-14H,4-11,17H2,1-3H3
InChIKeyFWUXFPKLFOKBAK-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone (PubChem CID 120820005) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone
PubChem CID120820005
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(CC(=O)N2CCC(N)C(C)(C)C2)C1
InChIInChI=1S/C16H30N2O/c1-12-5-4-6-13(9-12)10-15(19)18-8-7-14(17)16(2,3)11-18/h12-14H,4-11,17H2,1-3H3
InChIKeyFWUXFPKLFOKBAK-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone (CID 120820005) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone is CC1CCCC(CC(=O)N2CCC(N)C(C)(C)C2)C1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone?
The InChIKey is FWUXFPKLFOKBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-5-4-6-13(9-12)10-15(19)18-8-7-14(17)16(2,3)11-18/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone is sourced from PubChem (CID 120820005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).