1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol

C16H24FNO2 — CID 62631035

IUPAC1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCCCC1CCCN1CCC(O)c1ccccc1F
InChIInChI=1S/C16H24FNO2/c17-15-8-2-1-7-14(15)16(20)9-11-18-10-3-5-13(18)6-4-12-19/h1-2,7-8,13,16,19-20H,3-6,9-12H2
InChIKeyONDOYELSTQCOQT-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.49
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol

1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol (PubChem CID 62631035) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
PubChem CID62631035
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCCCC1CCCN1CCC(O)c1ccccc1F
InChIInChI=1S/C16H24FNO2/c17-15-8-2-1-7-14(15)16(20)9-11-18-10-3-5-13(18)6-4-12-19/h1-2,7-8,13,16,19-20H,3-6,9-12H2
InChIKeyONDOYELSTQCOQT-UHFFFAOYSA-N
XLogP2.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
CID 62619008
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methylphenyl)propan-1-ol
CID 62624367
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 62629485
1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-1-ol
CID 111103021
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110918997
3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 97045106
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol (CID 62631035) is 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol is OCCCC1CCCN1CCC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is ONDOYELSTQCOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c17-15-8-2-1-7-14(15)16(20)9-11-18-10-3-5-13(18)6-4-12-19/h1-2,7-8,13,16,19-20H,3-6,9-12H2.
What are the key properties of 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol?
1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 62631035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).