3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine

C17H20N2 — CID 91294184

IUPAC3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
SMILESc1ccc(CCN2CCCC2c2cccnc2)cc1
InChIInChI=1S/C17H20N2/c1-2-6-15(7-3-1)10-13-19-12-5-9-17(19)16-8-4-11-18-14-16/h1-4,6-8,11,14,17H,5,9-10,12-13H2
InChIKeyQOPIKVVHQPCHTN-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.46
Rot. Bonds4

About 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine

3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine (PubChem CID 91294184) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
PubChem CID91294184
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
SMILESc1ccc(CCN2CCCC2c2cccnc2)cc1
InChIInChI=1S/C17H20N2/c1-2-6-15(7-3-1)10-13-19-12-5-9-17(19)16-8-4-11-18-14-16/h1-4,6-8,11,14,17H,5,9-10,12-13H2
InChIKeyQOPIKVVHQPCHTN-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine 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

3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine
CID 129495697
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669
3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
CID 40637351
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine (CID 91294184) is 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine is c1ccc(CCN2CCCC2c2cccnc2)cc1.
What is the InChIKey of 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine?
The InChIKey is QOPIKVVHQPCHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-6-15(7-3-1)10-13-19-12-5-9-17(19)16-8-4-11-18-14-16/h1-4,6-8,11,14,17H,5,9-10,12-13H2.
What are the key properties of 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine?
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine has a molecular weight of 252.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 91294184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).