1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine

C15H29NO — CID 71159866

IUPAC1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine
SMILESCCOCC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-2-17-13-15-9-6-10-16(12-15)11-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3
InChIKeyJZMBEVUBYQLITQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.32
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine

1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine (PubChem CID 71159866) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine
PubChem CID71159866
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine
SMILESCCOCC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-2-17-13-15-9-6-10-16(12-15)11-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3
InChIKeyJZMBEVUBYQLITQ-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine?
The IUPAC name of 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine (CID 71159866) is 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine is CCOCC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine?
The InChIKey is JZMBEVUBYQLITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-17-13-15-9-6-10-16(12-15)11-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine?
1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine has a molecular weight of 239.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(ethoxymethyl)piperidine is sourced from PubChem (CID 71159866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).