1-(cyclohexylmethyl)-4-propoxypiperidine

C15H29NO — CID 58906116

IUPAC1-(cyclohexylmethyl)-4-propoxypiperidine
SMILESCCCOC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-12-17-15-8-10-16(11-9-15)13-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3
InChIKeyPUWXHWLBQUJPBT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.46
Rot. Bonds5

About 1-(cyclohexylmethyl)-4-propoxypiperidine

1-(cyclohexylmethyl)-4-propoxypiperidine (PubChem CID 58906116) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-propoxypiperidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-propoxypiperidine
PubChem CID58906116
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(cyclohexylmethyl)-4-propoxypiperidine
SMILESCCCOC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-12-17-15-8-10-16(11-9-15)13-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3
InChIKeyPUWXHWLBQUJPBT-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexylmethyl)-4-propoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-propoxypiperidine?
The IUPAC name of 1-(cyclohexylmethyl)-4-propoxypiperidine (CID 58906116) is 1-(cyclohexylmethyl)-4-propoxypiperidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-propoxypiperidine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-propoxypiperidine is CCCOC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-propoxypiperidine?
The InChIKey is PUWXHWLBQUJPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-12-17-15-8-10-16(11-9-15)13-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-4-propoxypiperidine?
1-(cyclohexylmethyl)-4-propoxypiperidine has a molecular weight of 239.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-propoxypiperidine is sourced from PubChem (CID 58906116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).