[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol

C12H16FNO — CID 23345262

IUPAC[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)C1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-14-7-6-10(8-15)12(14)9-2-4-11(13)5-3-9/h2-5,10,12,15H,6-8H2,1H3
InChIKeyQWVSOSIISADYMS-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.81
Rot. Bonds2

About [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol

[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 23345262) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID23345262
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)C1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-14-7-6-10(8-15)12(14)9-2-4-11(13)5-3-9/h2-5,10,12,15H,6-8H2,1H3
InChIKeyQWVSOSIISADYMS-UHFFFAOYSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 719760
(1-Benzylpyrrolidin-3-yl)methanol
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Preussin J
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Preussin
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2-(1-Benzylpyrrolidin-3-yl)ethanol
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[1-(2-Phenylethyl)pyrrolidin-3-yl]methanol
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[(3R*,4R*)-4-{[ethyl(methyl)amino]methyl}-1-(3-vinylbenzyl)pyrrolidin-3-yl]methanol
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(3S,3aR,8aS)-1-benzyl-3-(3-fluorophenyl)-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]pyrrol-4-ol
CID 82017431
[(2S,5R)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol
CID 127037249
[(2S,5S,8S)-5-(4-octylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol;hydrochloride
CID 145982689
1-Piperidinepropanol, gamma-phenyl-
CID 201866
2-Aziridinemethanol, 1-methyl-3-phenyl-, cis-
CID 3047322

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol (CID 23345262) is [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol is CN1CCC(CO)C1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is QWVSOSIISADYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-7-6-10(8-15)12(14)9-2-4-11(13)5-3-9/h2-5,10,12,15H,6-8H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol?
[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 23345262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).