3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine

C18H27NO2 — CID 117467787

IUPAC3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)ccc1OC1CCCC1
InChIInChI=1S/C18H27NO2/c1-20-18-12-14(11-15-5-4-10-19-13-15)8-9-17(18)21-16-6-2-3-7-16/h8-9,12,15-16,19H,2-7,10-11,13H2,1H3
InChIKeyUIHQFDOWPXBUOF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.56
Rot. Bonds5

About 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine

3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine (PubChem CID 117467787) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
PubChem CID117467787
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)ccc1OC1CCCC1
InChIInChI=1S/C18H27NO2/c1-20-18-12-14(11-15-5-4-10-19-13-15)8-9-17(18)21-16-6-2-3-7-16/h8-9,12,15-16,19H,2-7,10-11,13H2,1H3
InChIKeyUIHQFDOWPXBUOF-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 115005664
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine (CID 117467787) is 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine is COc1cc(CC2CCCNC2)ccc1OC1CCCC1.
What is the InChIKey of 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine?
The InChIKey is UIHQFDOWPXBUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-20-18-12-14(11-15-5-4-10-19-13-15)8-9-17(18)21-16-6-2-3-7-16/h8-9,12,15-16,19H,2-7,10-11,13H2,1H3.
What are the key properties of 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine?
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine has a molecular weight of 289.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117467787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).