3-[(4-methoxycyclohexyl)methyl]piperidine

C13H25NO — CID 84734618

IUPAC3-[(4-methoxycyclohexyl)methyl]piperidine
SMILESCOC1CCC(CC2CCCNC2)CC1
InChIInChI=1S/C13H25NO/c1-15-13-6-4-11(5-7-13)9-12-3-2-8-14-10-12/h11-14H,2-10H2,1H3
InChIKeyGXYZTKXXLJAJGY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About 3-[(4-methoxycyclohexyl)methyl]piperidine

3-[(4-methoxycyclohexyl)methyl]piperidine (PubChem CID 84734618) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[(4-methoxycyclohexyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-methoxycyclohexyl)methyl]piperidine
PubChem CID84734618
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[(4-methoxycyclohexyl)methyl]piperidine
SMILESCOC1CCC(CC2CCCNC2)CC1
InChIInChI=1S/C13H25NO/c1-15-13-6-4-11(5-7-13)9-12-3-2-8-14-10-12/h11-14H,2-10H2,1H3
InChIKeyGXYZTKXXLJAJGY-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-methoxycyclohexyl)methyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
1-(cyclohexylmethyl)-4-methoxycyclohexane
CID 139535555
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
(3S)-3-(cyclohexylmethyl)pyrrolidine
CID 86324106
3-methoxypiperidine;hydrochloride
CID 23142000
(3S)-3-methoxypiperidine;sulfane;hydrochloride
CID 157461038
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
piperidin-3-ylmethanol
CID 161361606
azetidine;3-methoxypyrrolidine
CID 143553472
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
3-(oxolan-3-ylmethyl)piperidine
CID 63563820

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxycyclohexyl)methyl]piperidine?
The IUPAC name of 3-[(4-methoxycyclohexyl)methyl]piperidine (CID 84734618) is 3-[(4-methoxycyclohexyl)methyl]piperidine.
What is the SMILES notation for 3-[(4-methoxycyclohexyl)methyl]piperidine?
The canonical SMILES for 3-[(4-methoxycyclohexyl)methyl]piperidine is COC1CCC(CC2CCCNC2)CC1.
What is the InChIKey of 3-[(4-methoxycyclohexyl)methyl]piperidine?
The InChIKey is GXYZTKXXLJAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-15-13-6-4-11(5-7-13)9-12-3-2-8-14-10-12/h11-14H,2-10H2,1H3.
What are the key properties of 3-[(4-methoxycyclohexyl)methyl]piperidine?
3-[(4-methoxycyclohexyl)methyl]piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxycyclohexyl)methyl]piperidine is sourced from PubChem (CID 84734618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).