4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium

C20H38N+ — CID 163127985

IUPAC4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium
SMILESCC1CCCCC1C[NH+]1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C20H37N/c1-17-7-5-6-10-20(17)16-21-13-11-19(12-14-21)15-18-8-3-2-4-9-18/h17-20H,2-16H2,1H3/p+1
InChIKeyKDCPZXNZZKSFFD-UHFFFAOYSA-O
MW292.53 g/mol
LogP4.08
Rot. Bonds4

About 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium

4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium (PubChem CID 163127985) has the molecular formula C20H38N+ and a molecular weight of 292.53 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium
PubChem CID163127985
Molecular FormulaC20H38N+
Molecular Weight292.53 g/mol
Exact Mass292.30
IUPAC Name4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium
SMILESCC1CCCCC1C[NH+]1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C20H37N/c1-17-7-5-6-10-20(17)16-21-13-11-19(12-14-21)15-18-8-3-2-4-9-18/h17-20H,2-16H2,1H3/p+1
InChIKeyKDCPZXNZZKSFFD-UHFFFAOYSA-O
XLogP4.08
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium?
The IUPAC name of 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium (CID 163127985) is 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium.
What is the SMILES notation for 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium?
The canonical SMILES for 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium is CC1CCCCC1C[NH+]1CCC(CC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium?
The InChIKey is KDCPZXNZZKSFFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H37N/c1-17-7-5-6-10-20(17)16-21-13-11-19(12-14-21)15-18-8-3-2-4-9-18/h17-20H,2-16H2,1H3/p+1.
What are the key properties of 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium?
4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium has a molecular weight of 292.53 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium is sourced from PubChem (CID 163127985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).