4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine

C16H17FN2 — CID 121205306

IUPAC4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine
SMILESFC1(c2ccncc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H17FN2/c17-16(15-6-9-18-10-7-15)8-11-19(13-16)12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2
InChIKeyUQDIYQKDCZJVNB-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.15
Rot. Bonds3

About 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine

4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine (PubChem CID 121205306) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine.

Molecular Properties

Compound Name4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine
PubChem CID121205306
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine
SMILESFC1(c2ccncc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H17FN2/c17-16(15-6-9-18-10-7-15)8-11-19(13-16)12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2
InChIKeyUQDIYQKDCZJVNB-UHFFFAOYSA-N
XLogP3.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(1-benzyl-3-fluoropyrrolidin-3-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

1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
(4R)-1-benzyl-3,3-difluoro-4-phenylpiperidin-4-ol
CID 97357069
2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene
CID 66701167
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 19691457
(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42521731
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 53403180
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 117012382
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
6,6-difluoro-2-pyridin-2-yl-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131642876

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine?
The IUPAC name of 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine (CID 121205306) is 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine.
What is the SMILES notation for 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine?
The canonical SMILES for 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine is FC1(c2ccncc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine?
The InChIKey is UQDIYQKDCZJVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-16(15-6-9-18-10-7-15)8-11-19(13-16)12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13H2.
What are the key properties of 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine?
4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine has a molecular weight of 256.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine is sourced from PubChem (CID 121205306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).