2-(2,2-dicyclohexylethyl)-1-methylpiperidine

C20H37N — CID 15150412

IUPAC2-(2,2-dicyclohexylethyl)-1-methylpiperidine
SMILESCN1CCCCC1CC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37N/c1-21-15-9-8-14-19(21)16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h17-20H,2-16H2,1H3
InChIKeyMTRCPMSCTPJROI-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.64
Rot. Bonds4

About 2-(2,2-dicyclohexylethyl)-1-methylpiperidine

2-(2,2-dicyclohexylethyl)-1-methylpiperidine (PubChem CID 15150412) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 2-(2,2-dicyclohexylethyl)-1-methylpiperidine.

Molecular Properties

Compound Name2-(2,2-dicyclohexylethyl)-1-methylpiperidine
PubChem CID15150412
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name2-(2,2-dicyclohexylethyl)-1-methylpiperidine
SMILESCN1CCCCC1CC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37N/c1-21-15-9-8-14-19(21)16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h17-20H,2-16H2,1H3
InChIKeyMTRCPMSCTPJROI-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclohexylethyl)-1-methylpiperidine?
The IUPAC name of 2-(2,2-dicyclohexylethyl)-1-methylpiperidine (CID 15150412) is 2-(2,2-dicyclohexylethyl)-1-methylpiperidine.
What is the SMILES notation for 2-(2,2-dicyclohexylethyl)-1-methylpiperidine?
The canonical SMILES for 2-(2,2-dicyclohexylethyl)-1-methylpiperidine is CN1CCCCC1CC(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(2,2-dicyclohexylethyl)-1-methylpiperidine?
The InChIKey is MTRCPMSCTPJROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-21-15-9-8-14-19(21)16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h17-20H,2-16H2,1H3.
What are the key properties of 2-(2,2-dicyclohexylethyl)-1-methylpiperidine?
2-(2,2-dicyclohexylethyl)-1-methylpiperidine has a molecular weight of 291.52 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclohexylethyl)-1-methylpiperidine is sourced from PubChem (CID 15150412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).