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

C17H25NO2 — CID 174896705

IUPAC3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CC2CCNC2)cc1OC1CCCC1
InChIInChI=1S/C17H25NO2/c1-19-16-7-6-13(10-14-8-9-18-12-14)11-17(16)20-15-4-2-3-5-15/h6-7,11,14-15,18H,2-5,8-10,12H2,1H3
InChIKeyFWQKVMPIPHUSTC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.17
Rot. Bonds5

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

3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine (PubChem CID 174896705) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
PubChem CID174896705
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CC2CCNC2)cc1OC1CCCC1
InChIInChI=1S/C17H25NO2/c1-19-16-7-6-13(10-14-8-9-18-12-14)11-17(16)20-15-4-2-3-5-15/h6-7,11,14-15,18H,2-5,8-10,12H2,1H3
InChIKeyFWQKVMPIPHUSTC-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
CID 117474203
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 115005664
O-[2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethyl]hydroxylamine
CID 117420163
4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine
CID 117470870
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine (CID 174896705) is 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine is COc1ccc(CC2CCNC2)cc1OC1CCCC1.
What is the InChIKey of 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is FWQKVMPIPHUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-16-7-6-13(10-14-8-9-18-12-14)11-17(16)20-15-4-2-3-5-15/h6-7,11,14-15,18H,2-5,8-10,12H2,1H3.
What are the key properties of 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine?
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 275.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 174896705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).