[1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol

C24H31NO3 — CID 22915199

IUPAC[1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol
SMILESCOc1ccc(C2CN(Cc3ccccc3)CC2CO)cc1OC1CCCC1
InChIInChI=1S/C24H31NO3/c1-27-23-12-11-19(13-24(23)28-21-9-5-6-10-21)22-16-25(15-20(22)17-26)14-18-7-3-2-4-8-18/h2-4,7-8,11-13,20-22,26H,5-6,9-10,14-17H2,1H3
InChIKeyBNGZIGJNFNRKKU-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.22
Rot. Bonds7

About [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol

[1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol (PubChem CID 22915199) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol
PubChem CID22915199
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name[1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol
SMILESCOc1ccc(C2CN(Cc3ccccc3)CC2CO)cc1OC1CCCC1
InChIInChI=1S/C24H31NO3/c1-27-23-12-11-19(13-24(23)28-21-9-5-6-10-21)22-16-25(15-20(22)17-26)14-18-7-3-2-4-8-18/h2-4,7-8,11-13,20-22,26H,5-6,9-10,14-17H2,1H3
InChIKeyBNGZIGJNFNRKKU-UHFFFAOYSA-N
XLogP4.22
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol 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,4R)-1-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine;ethanol
CID 142074552
1-[(3S,4R)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]ethanone
CID 70093783
tert-butyl (3S,4R)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 70096559
1-[(3S,4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 59960710
benzyl 2-[(3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]acetate
CID 142074544
[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol
CID 67782895
[(3R,4S)-1-benzyl-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methanol
CID 54025258
[1-benzyl-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methanol
CID 19694437
benzyl 3-[(3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]propanoate;ethanol
CID 142074413
[1-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methanol
CID 19694463
(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67015224
(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide
CID 122386187

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol (CID 22915199) is [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol is COc1ccc(C2CN(Cc3ccccc3)CC2CO)cc1OC1CCCC1.
What is the InChIKey of [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is BNGZIGJNFNRKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-27-23-12-11-19(13-24(23)28-21-9-5-6-10-21)22-16-25(15-20(22)17-26)14-18-7-3-2-4-8-18/h2-4,7-8,11-13,20-22,26H,5-6,9-10,14-17H2,1H3.
What are the key properties of [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol?
[1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 381.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 22915199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).