2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone

C15H29N2O+ — CID 163182695

IUPAC2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)C[NH+]2CCC(C)CC2N)CC1
InChIInChI=1S/C15H28N2O/c1-11-3-5-13(6-4-11)14(18)10-17-8-7-12(2)9-15(17)16/h11-13,15H,3-10,16H2,1-2H3/p+1
InChIKeyRKYYQQXGHXFQIU-UHFFFAOYSA-O
MW253.41 g/mol
LogP0.98
Rot. Bonds3

About 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone

2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone (PubChem CID 163182695) has the molecular formula C15H29N2O+ and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone
PubChem CID163182695
Molecular FormulaC15H29N2O+
Molecular Weight253.41 g/mol
Exact Mass253.23
IUPAC Name2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)C[NH+]2CCC(C)CC2N)CC1
InChIInChI=1S/C15H28N2O/c1-11-3-5-13(6-4-11)14(18)10-17-8-7-12(2)9-15(17)16/h11-13,15H,3-10,16H2,1-2H3/p+1
InChIKeyRKYYQQXGHXFQIU-UHFFFAOYSA-O
XLogP0.98
TPSA47.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone (CID 163182695) is 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone is CC1CCC(C(=O)C[NH+]2CCC(C)CC2N)CC1.
What is the InChIKey of 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone?
The InChIKey is RKYYQQXGHXFQIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H28N2O/c1-11-3-5-13(6-4-11)14(18)10-17-8-7-12(2)9-15(17)16/h11-13,15H,3-10,16H2,1-2H3/p+1.
What are the key properties of 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone?
2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone has a molecular weight of 253.41 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone is sourced from PubChem (CID 163182695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).