[(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol

C14H20FNO — CID 129189898

IUPAC[(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1[C@H](F)CCN1CCCc1ccccc1
InChIInChI=1S/C14H20FNO/c15-13-8-10-16(14(13)11-17)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2/t13-,14+/m1/s1
InChIKeyLLQXAYJZIQAOLI-KGLIPLIRSA-N
MW237.32 g/mol
LogP2.02
Rot. Bonds5

About [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol

[(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol (PubChem CID 129189898) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol
PubChem CID129189898
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1[C@H](F)CCN1CCCc1ccccc1
InChIInChI=1S/C14H20FNO/c15-13-8-10-16(14(13)11-17)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2/t13-,14+/m1/s1
InChIKeyLLQXAYJZIQAOLI-KGLIPLIRSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-3-methyl-1-(4-phenylbutyl)pyrrolidine
CID 102785255
triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane
CID 21024249
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
2,3-dimethyl-1-(3-phenylpropyl)piperidin-4-amine
CID 79397057
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine
CID 68901288
2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane
CID 175956808
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol (CID 129189898) is [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol is OC[C@H]1[C@H](F)CCN1CCCc1ccccc1.
What is the InChIKey of [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol?
The InChIKey is LLQXAYJZIQAOLI-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20FNO/c15-13-8-10-16(14(13)11-17)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2/t13-,14+/m1/s1.
What are the key properties of [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol?
[(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol has a molecular weight of 237.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 129189898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).