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

C18H22N2 — CID 133377119

IUPAC2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
SMILESc1ccc(CCCC2CCCN2c2ccccn2)cc1
InChIInChI=1S/C18H22N2/c1-2-8-16(9-3-1)10-6-11-17-12-7-15-20(17)18-13-4-5-14-19-18/h1-5,8-9,13-14,17H,6-7,10-12,15H2
InChIKeyKNDXDCPQULOCSO-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.07
Rot. Bonds5

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

2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine (PubChem CID 133377119) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
PubChem CID133377119
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
SMILESc1ccc(CCCC2CCCN2c2ccccn2)cc1
InChIInChI=1S/C18H22N2/c1-2-8-16(9-3-1)10-6-11-17-12-7-15-20(17)18-13-4-5-14-19-18/h1-5,8-9,13-14,17H,6-7,10-12,15H2
InChIKeyKNDXDCPQULOCSO-UHFFFAOYSA-N
XLogP4.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline
CID 97015354
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
CID 110095085
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 133406762
tert-butyl-dimethyl-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]silane
CID 177415257
3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
CID 80680463
4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 57106797
4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
CID 11129755
3-nitro-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 133377135
2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline
CID 63390155
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine (CID 133377119) is 2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine is c1ccc(CCCC2CCCN2c2ccccn2)cc1.
What is the InChIKey of 2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine?
The InChIKey is KNDXDCPQULOCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-8-16(9-3-1)10-6-11-17-12-7-15-20(17)18-13-4-5-14-19-18/h1-5,8-9,13-14,17H,6-7,10-12,15H2.
What are the key properties of 2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine?
2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine has a molecular weight of 266.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 133377119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).