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

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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).