1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol

C14H20FNO — CID 62645250

IUPAC1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
SMILESCC1CCCN1CCC(O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-11-4-3-8-16(11)9-7-14(17)12-5-2-6-13(15)10-12/h2,5-6,10-11,14,17H,3-4,7-9H2,1H3
InChIKeyPGDGBGQTEJRCOY-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.73
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol

1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol (PubChem CID 62645250) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
PubChem CID62645250
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
SMILESCC1CCCN1CCC(O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-11-4-3-8-16(11)9-7-14(17)12-5-2-6-13(15)10-12/h2,5-6,10-11,14,17H,3-4,7-9H2,1H3
InChIKeyPGDGBGQTEJRCOY-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
3-(2,5-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62629462
3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 55156133
(1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 100846119
3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62630321
1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437
1-(3-fluorophenyl)-3-(1,4-thiazepan-4-yl)propan-1-ol
CID 62629154
1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 114871000
1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62625055
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-bromophenyl)propan-1-ol
CID 102728348
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol (CID 62645250) is 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol is CC1CCCN1CCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is PGDGBGQTEJRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-4-3-8-16(11)9-7-14(17)12-5-2-6-13(15)10-12/h2,5-6,10-11,14,17H,3-4,7-9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol?
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 62645250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).