3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol

C15H23NO2 — CID 62467233

IUPAC3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(O)c1ccc(N2CCCC2CCCO)cc1
InChIInChI=1S/C15H23NO2/c1-12(18)13-6-8-15(9-7-13)16-10-2-4-14(16)5-3-11-17/h6-9,12,14,17-18H,2-5,10-11H2,1H3
InChIKeyZSCFRICAJAAVOU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds5

About 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467233) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467233
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(O)c1ccc(N2CCCC2CCCO)cc1
InChIInChI=1S/C15H23NO2/c1-12(18)13-6-8-15(9-7-13)16-10-2-4-14(16)5-3-11-17/h6-9,12,14,17-18H,2-5,10-11H2,1H3
InChIKeyZSCFRICAJAAVOU-UHFFFAOYSA-N
XLogP2.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467222
3-[1-[4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 63070356
3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62648788
1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469358
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde
CID 62468113
(1R)-1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanol
CID 102727152
3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 83122786
(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 78939900
(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 63371155
(1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol
CID 79014129
3-[1-[4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467251
3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 83122531

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol (CID 62467233) is 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol is CC(O)c1ccc(N2CCCC2CCCO)cc1.
What is the InChIKey of 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZSCFRICAJAAVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(18)13-6-8-15(9-7-13)16-10-2-4-14(16)5-3-11-17/h6-9,12,14,17-18H,2-5,10-11H2,1H3.
What are the key properties of 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).