3-(oxan-4-yl)-2-phenylpyrrolidine

C15H21NO — CID 62722563

IUPAC3-(oxan-4-yl)-2-phenylpyrrolidine
SMILESc1ccc(C2NCCC2C2CCOCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-4-13(5-3-1)15-14(6-9-16-15)12-7-10-17-11-8-12/h1-5,12,14-16H,6-11H2
InChIKeyBUHPHKUUJWCDLK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.76
Rot. Bonds2

About 3-(oxan-4-yl)-2-phenylpyrrolidine

3-(oxan-4-yl)-2-phenylpyrrolidine (PubChem CID 62722563) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(oxan-4-yl)-2-phenylpyrrolidine.

Molecular Properties

Compound Name3-(oxan-4-yl)-2-phenylpyrrolidine
PubChem CID62722563
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(oxan-4-yl)-2-phenylpyrrolidine
SMILESc1ccc(C2NCCC2C2CCOCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-4-13(5-3-1)15-14(6-9-16-15)12-7-10-17-11-8-12/h1-5,12,14-16H,6-11H2
InChIKeyBUHPHKUUJWCDLK-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(oxan-4-yl)-2-phenylpyrrolidine 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

(2R,3S)-2,3-diphenylmorpholine
CID 56957923
(5S)-5-phenyl-1,4-oxazepane
CID 86332618
2,3-diphenylpiperazine;hydrochloride
CID 175072756
ethane;3-methyl-2-phenylpyrrolidine
CID 162762531
(3aR,4R,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11870146
2-phenylpiperidin-3-ol
CID 18782643
4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride
CID 165142296
[(2R,3R)-2-phenylpiperidin-3-yl]azanium
CID 59904937
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
2,3-diphenylthiomorpholine
CID 13166168
(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-2-phenylpyrrolidine?
The IUPAC name of 3-(oxan-4-yl)-2-phenylpyrrolidine (CID 62722563) is 3-(oxan-4-yl)-2-phenylpyrrolidine.
What is the SMILES notation for 3-(oxan-4-yl)-2-phenylpyrrolidine?
The canonical SMILES for 3-(oxan-4-yl)-2-phenylpyrrolidine is c1ccc(C2NCCC2C2CCOCC2)cc1.
What is the InChIKey of 3-(oxan-4-yl)-2-phenylpyrrolidine?
The InChIKey is BUHPHKUUJWCDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-4-13(5-3-1)15-14(6-9-16-15)12-7-10-17-11-8-12/h1-5,12,14-16H,6-11H2.
What are the key properties of 3-(oxan-4-yl)-2-phenylpyrrolidine?
3-(oxan-4-yl)-2-phenylpyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-2-phenylpyrrolidine is sourced from PubChem (CID 62722563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).