3-cyclohexyl-3-ethylpiperidine

C13H25N — CID 20521857

IUPAC3-cyclohexyl-3-ethylpiperidine
SMILESCCC1(C2CCCCC2)CCCNC1
InChIInChI=1S/C13H25N/c1-2-13(9-6-10-14-11-13)12-7-4-3-5-8-12/h12,14H,2-11H2,1H3
InChIKeyPRQKYHHOZCNQJX-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds2

About 3-cyclohexyl-3-ethylpiperidine

3-cyclohexyl-3-ethylpiperidine (PubChem CID 20521857) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-cyclohexyl-3-ethylpiperidine.

Molecular Properties

Compound Name3-cyclohexyl-3-ethylpiperidine
PubChem CID20521857
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-cyclohexyl-3-ethylpiperidine
SMILESCCC1(C2CCCCC2)CCCNC1
InChIInChI=1S/C13H25N/c1-2-13(9-6-10-14-11-13)12-7-4-3-5-8-12/h12,14H,2-11H2,1H3
InChIKeyPRQKYHHOZCNQJX-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-ethylpiperidine?
The IUPAC name of 3-cyclohexyl-3-ethylpiperidine (CID 20521857) is 3-cyclohexyl-3-ethylpiperidine.
What is the SMILES notation for 3-cyclohexyl-3-ethylpiperidine?
The canonical SMILES for 3-cyclohexyl-3-ethylpiperidine is CCC1(C2CCCCC2)CCCNC1.
What is the InChIKey of 3-cyclohexyl-3-ethylpiperidine?
The InChIKey is PRQKYHHOZCNQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-2-13(9-6-10-14-11-13)12-7-4-3-5-8-12/h12,14H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-3-ethylpiperidine?
3-cyclohexyl-3-ethylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-ethylpiperidine is sourced from PubChem (CID 20521857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).