1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone

C20H36NO+ — CID 163145709

IUPAC1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
SMILESCC1CC[NH+](CC(=O)C2CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H35NO/c1-16-11-13-21(14-12-16)15-20(22)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h16-19H,2-15H2,1H3/p+1
InChIKeyBMJOZLDXINFRIM-UHFFFAOYSA-O
MW306.51 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone

1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone (PubChem CID 163145709) has the molecular formula C20H36NO+ and a molecular weight of 306.51 g/mol. Its IUPAC name is 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
PubChem CID163145709
Molecular FormulaC20H36NO+
Molecular Weight306.51 g/mol
Exact Mass306.28
IUPAC Name1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
SMILESCC1CC[NH+](CC(=O)C2CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H35NO/c1-16-11-13-21(14-12-16)15-20(22)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h16-19H,2-15H2,1H3/p+1
InChIKeyBMJOZLDXINFRIM-UHFFFAOYSA-O
XLogP3.26
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone with MolForge

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Related Compounds

1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone
CID 163129070
1-(4-chlorocyclohexyl)-2-piperidin-1-ium-1-ylethanone
CID 163125371
2-[4-(cyclohexanecarbonyl)piperidin-1-ium-1-yl]-1-(4-iodocyclohexyl)ethanone
CID 163179404
N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide
CID 163118753
2-(2-amino-4-methylpiperidin-1-ium-1-yl)-1-(4-methylcyclohexyl)ethanone
CID 163182695
N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
CID 163171817
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-1-one
CID 114962133
ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 145196204
cyclohexyl-(4-cyclopentylcyclohexyl)methanone
CID 141495223

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone?
The IUPAC name of 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone (CID 163145709) is 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone is CC1CC[NH+](CC(=O)C2CCC(C3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone?
The InChIKey is BMJOZLDXINFRIM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H35NO/c1-16-11-13-21(14-12-16)15-20(22)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h16-19H,2-15H2,1H3/p+1.
What are the key properties of 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone?
1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone has a molecular weight of 306.51 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylcyclohexyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone is sourced from PubChem (CID 163145709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).