[1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol

C17H24FNO — CID 126813375

IUPAC[1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol
SMILESOCC1(F)CCN(Cc2ccc(C3CCCC3)cc2)C1
InChIInChI=1S/C17H24FNO/c18-17(13-20)9-10-19(12-17)11-14-5-7-16(8-6-14)15-3-1-2-4-15/h5-8,15,20H,1-4,9-13H2
InChIKeyOWDJZBXUMJSLHP-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.25
Rot. Bonds4

About [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol

[1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol (PubChem CID 126813375) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol
PubChem CID126813375
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name[1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol
SMILESOCC1(F)CCN(Cc2ccc(C3CCCC3)cc2)C1
InChIInChI=1S/C17H24FNO/c18-17(13-20)9-10-19(12-17)11-14-5-7-16(8-6-14)15-3-1-2-4-15/h5-8,15,20H,1-4,9-13H2
InChIKeyOWDJZBXUMJSLHP-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973
(1-benzyl-3-fluoroazetidin-3-yl)methanol
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4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
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1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79976831
1-[[4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3,3-dicarboxylic acid;hydrochloride
CID 67545695
(4-cyclohexylphenyl)-dideuteriomethanol
CID 162410552
[1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol
CID 126813371
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
CID 68534657
[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110009060
1-cyclohexyl-4-fluorobenzene;phenylmethanol
CID 143134294
[4-(3,3-difluorocyclopentyl)phenyl]methanol
CID 115027818
[1-(cyclopropylmethyl)-3-fluoropiperidin-3-yl]methanol
CID 130666200

Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol (CID 126813375) is [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol is OCC1(F)CCN(Cc2ccc(C3CCCC3)cc2)C1.
What is the InChIKey of [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol?
The InChIKey is OWDJZBXUMJSLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c18-17(13-20)9-10-19(12-17)11-14-5-7-16(8-6-14)15-3-1-2-4-15/h5-8,15,20H,1-4,9-13H2.
What are the key properties of [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol?
[1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol has a molecular weight of 277.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol is sourced from PubChem (CID 126813375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).