1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone

C15H21NO2 — CID 62469358

IUPAC1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC2CCCO)cc1
InChIInChI=1S/C15H21NO2/c1-12(18)13-6-8-15(9-7-13)16-10-2-4-14(16)5-3-11-17/h6-9,14,17H,2-5,10-11H2,1H3
InChIKeyJOSXJONDHKEXLT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.63
Rot. Bonds5

About 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone

1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone (PubChem CID 62469358) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
PubChem CID62469358
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC2CCCO)cc1
InChIInChI=1S/C15H21NO2/c1-12(18)13-6-8-15(9-7-13)16-10-2-4-14(16)5-3-11-17/h6-9,14,17H,2-5,10-11H2,1H3
InChIKeyJOSXJONDHKEXLT-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde
CID 62468113
3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467233
3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62648788
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanone
CID 102726719
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
1-[4-hydroxy-3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 62469020
3-[1-[4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467251
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
1-[2-fluoro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469359
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone (CID 62469358) is 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCCC2CCCO)cc1.
What is the InChIKey of 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone?
The InChIKey is JOSXJONDHKEXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(18)13-6-8-15(9-7-13)16-10-2-4-14(16)5-3-11-17/h6-9,14,17H,2-5,10-11H2,1H3.
What are the key properties of 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone?
1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 62469358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).