4-(1-benzylpyrrolidin-3-yl)pyridine

C16H18N2 — CID 11085844

IUPAC4-(1-benzylpyrrolidin-3-yl)pyridine
SMILESc1ccc(CN2CCC(c3ccncc3)C2)cc1
InChIInChI=1S/C16H18N2/c1-2-4-14(5-3-1)12-18-11-8-16(13-18)15-6-9-17-10-7-15/h1-7,9-10,16H,8,11-13H2
InChIKeyYRPAMRAMUWHMQL-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.07
Rot. Bonds3

About 4-(1-benzylpyrrolidin-3-yl)pyridine

4-(1-benzylpyrrolidin-3-yl)pyridine (PubChem CID 11085844) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(1-benzylpyrrolidin-3-yl)pyridine.

Molecular Properties

Compound Name4-(1-benzylpyrrolidin-3-yl)pyridine
PubChem CID11085844
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name4-(1-benzylpyrrolidin-3-yl)pyridine
SMILESc1ccc(CN2CCC(c3ccncc3)C2)cc1
InChIInChI=1S/C16H18N2/c1-2-4-14(5-3-1)12-18-11-8-16(13-18)15-6-9-17-10-7-15/h1-7,9-10,16H,8,11-13H2
InChIKeyYRPAMRAMUWHMQL-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
1-benzyl-3-[4-(methylsulfanylmethyl)phenyl]pyrrolidine
CID 166966394
4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 95871341
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine
CID 59705532
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine
CID 70998319
[(3S)-1-benzylpiperidin-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 98763268
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine
CID 129488964

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrolidin-3-yl)pyridine?
The IUPAC name of 4-(1-benzylpyrrolidin-3-yl)pyridine (CID 11085844) is 4-(1-benzylpyrrolidin-3-yl)pyridine.
What is the SMILES notation for 4-(1-benzylpyrrolidin-3-yl)pyridine?
The canonical SMILES for 4-(1-benzylpyrrolidin-3-yl)pyridine is c1ccc(CN2CCC(c3ccncc3)C2)cc1.
What is the InChIKey of 4-(1-benzylpyrrolidin-3-yl)pyridine?
The InChIKey is YRPAMRAMUWHMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-4-14(5-3-1)12-18-11-8-16(13-18)15-6-9-17-10-7-15/h1-7,9-10,16H,8,11-13H2.
What are the key properties of 4-(1-benzylpyrrolidin-3-yl)pyridine?
4-(1-benzylpyrrolidin-3-yl)pyridine has a molecular weight of 238.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrolidin-3-yl)pyridine is sourced from PubChem (CID 11085844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).