2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine

C15H29NO — CID 54458565

IUPAC2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine
SMILESCOC1CCC(CCC2CCCC(C)N2)CC1
InChIInChI=1S/C15H29NO/c1-12-4-3-5-14(16-12)9-6-13-7-10-15(17-2)11-8-13/h12-16H,3-11H2,1-2H3
InChIKeyWZYPJYWZRJNOKR-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds4

About 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine

2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine (PubChem CID 54458565) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine
PubChem CID54458565
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine
SMILESCOC1CCC(CCC2CCCC(C)N2)CC1
InChIInChI=1S/C15H29NO/c1-12-4-3-5-14(16-12)9-6-13-7-10-15(17-2)11-8-13/h12-16H,3-11H2,1-2H3
InChIKeyWZYPJYWZRJNOKR-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine?
The IUPAC name of 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine (CID 54458565) is 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine.
What is the SMILES notation for 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine?
The canonical SMILES for 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine is COC1CCC(CCC2CCCC(C)N2)CC1.
What is the InChIKey of 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine?
The InChIKey is WZYPJYWZRJNOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-4-3-5-14(16-12)9-6-13-7-10-15(17-2)11-8-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine?
2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxycyclohexyl)ethyl]-6-methylpiperidine is sourced from PubChem (CID 54458565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).