3-(1-benzylpyrrolidin-2-yl)pyridine

C16H18N2 — CID 6451351

IUPAC3-(1-benzylpyrrolidin-2-yl)pyridine
SMILESc1ccc(CN2CCCC2c2cccnc2)cc1
InChIInChI=1S/C16H18N2/c1-2-6-14(7-3-1)13-18-11-5-9-16(18)15-8-4-10-17-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2
InChIKeyOROZJANMNGFCRU-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.42
Rot. Bonds3

About 3-(1-benzylpyrrolidin-2-yl)pyridine

3-(1-benzylpyrrolidin-2-yl)pyridine (PubChem CID 6451351) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(1-benzylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-benzylpyrrolidin-2-yl)pyridine
PubChem CID6451351
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-(1-benzylpyrrolidin-2-yl)pyridine
SMILESc1ccc(CN2CCCC2c2cccnc2)cc1
InChIInChI=1S/C16H18N2/c1-2-6-14(7-3-1)13-18-11-5-9-16(18)15-8-4-10-17-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2
InChIKeyOROZJANMNGFCRU-UHFFFAOYSA-N
XLogP3.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Triprolidine
CID 5282443
Anabasine
CID 205586
(+-)-Dimethindene
CID 21855
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
Zimelidine
CID 5365247
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Paraquat
CID 15939
Myosmine
CID 442649

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrrolidin-2-yl)pyridine?
The IUPAC name of 3-(1-benzylpyrrolidin-2-yl)pyridine (CID 6451351) is 3-(1-benzylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 3-(1-benzylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 3-(1-benzylpyrrolidin-2-yl)pyridine is c1ccc(CN2CCCC2c2cccnc2)cc1.
What is the InChIKey of 3-(1-benzylpyrrolidin-2-yl)pyridine?
The InChIKey is OROZJANMNGFCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-14(7-3-1)13-18-11-5-9-16(18)15-8-4-10-17-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2.
What are the key properties of 3-(1-benzylpyrrolidin-2-yl)pyridine?
3-(1-benzylpyrrolidin-2-yl)pyridine has a molecular weight of 238.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 6451351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).