[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol

C17H25NO — CID 72919703

IUPAC[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol
SMILESOCc1ccc(CC2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C17H25NO/c19-13-15-7-5-14(6-8-15)11-16-9-10-18(12-16)17-3-1-2-4-17/h5-8,16-17,19H,1-4,9-13H2
InChIKeyONFSSVQQZCGAPW-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.99
Rot. Bonds4

About [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol

[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol (PubChem CID 72919703) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol
PubChem CID72919703
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol
SMILESOCc1ccc(CC2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C17H25NO/c19-13-15-7-5-14(6-8-15)11-16-9-10-18(12-16)17-3-1-2-4-17/h5-8,16-17,19H,1-4,9-13H2
InChIKeyONFSSVQQZCGAPW-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
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cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
2-(azepan-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97132995
5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
CID 72851654
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
[4-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]phenyl]methanol
CID 86283431
(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97124412
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97143774
[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 97119464
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol?
The IUPAC name of [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol (CID 72919703) is [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol is OCc1ccc(CC2CCN(C3CCCC3)C2)cc1.
What is the InChIKey of [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol?
The InChIKey is ONFSSVQQZCGAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-13-15-7-5-14(6-8-15)11-16-9-10-18(12-16)17-3-1-2-4-17/h5-8,16-17,19H,1-4,9-13H2.
What are the key properties of [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol?
[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol is sourced from PubChem (CID 72919703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).