3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine

C18H27NO2 — CID 115927092

IUPAC3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc(C2CCNCC2C2CCCC2)c(OC)c1
InChIInChI=1S/C18H27NO2/c1-20-14-7-8-16(18(11-14)21-2)15-9-10-19-12-17(15)13-5-3-4-6-13/h7-8,11,13,15,17,19H,3-6,9-10,12H2,1-2H3
InChIKeyZAUSRYKZRUYMFV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.59
Rot. Bonds4

About 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine

3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine (PubChem CID 115927092) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine
PubChem CID115927092
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc(C2CCNCC2C2CCCC2)c(OC)c1
InChIInChI=1S/C18H27NO2/c1-20-14-7-8-16(18(11-14)21-2)15-9-10-19-12-17(15)13-5-3-4-6-13/h7-8,11,13,15,17,19H,3-6,9-10,12H2,1-2H3
InChIKeyZAUSRYKZRUYMFV-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
3-(2,4-dimethoxyphenyl)-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]oxazepine
CID 106364355
2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
3-cyclopentyl-4-[3-(methoxymethyl)phenyl]piperidine
CID 115927122
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine
CID 112570759
3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
CID 117316343

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine?
The IUPAC name of 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine (CID 115927092) is 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine.
What is the SMILES notation for 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine?
The canonical SMILES for 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine is COc1ccc(C2CCNCC2C2CCCC2)c(OC)c1.
What is the InChIKey of 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine?
The InChIKey is ZAUSRYKZRUYMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-20-14-7-8-16(18(11-14)21-2)15-9-10-19-12-17(15)13-5-3-4-6-13/h7-8,11,13,15,17,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine?
3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine has a molecular weight of 289.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine is sourced from PubChem (CID 115927092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).