1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol

C14H21NO2 — CID 103942840

IUPAC1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([C@H](C)O)cc2)C1
InChIInChI=1S/C14H21NO2/c1-10(16)12-3-5-14(6-4-12)15-8-7-13(9-15)11(2)17/h3-6,10-11,13,16-17H,7-9H2,1-2H3/t10-,11?,13?/m0/s1
InChIKeyYRGCQVGJEVYZFH-ZBOXLXRLSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds3

About 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol

1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol (PubChem CID 103942840) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
PubChem CID103942840
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([C@H](C)O)cc2)C1
InChIInChI=1S/C14H21NO2/c1-10(16)12-3-5-14(6-4-12)15-8-7-13(9-15)11(2)17/h3-6,10-11,13,16-17H,7-9H2,1-2H3/t10-,11?,13?/m0/s1
InChIKeyYRGCQVGJEVYZFH-ZBOXLXRLSA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
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'}

Analyze 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol 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

1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
(1S)-1-[4-(4-propan-2-ylazepan-1-yl)phenyl]ethanol
CID 78992796
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 103942856
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777
(1R)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 78940931
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
CID 78940951

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol (CID 103942840) is 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ccc([C@H](C)O)cc2)C1.
What is the InChIKey of 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is YRGCQVGJEVYZFH-ZBOXLXRLSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(16)12-3-5-14(6-4-12)15-8-7-13(9-15)11(2)17/h3-6,10-11,13,16-17H,7-9H2,1-2H3/t10-,11?,13?/m0/s1.
What are the key properties of 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol?
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103942840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).