3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine

C23H24N2 — CID 11602342

IUPAC3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
SMILESCC(c1ccc(-c2ccc(-c3cccnc3)cc2)cc1)N1CCCC1
InChIInChI=1S/C23H24N2/c1-18(25-15-2-3-16-25)19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-5-4-14-24-17-23/h4-14,17-18H,2-3,15-16H2,1H3
InChIKeyPTASVEKRXCZTDY-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.57
Rot. Bonds4

About 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine

3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine (PubChem CID 11602342) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
PubChem CID11602342
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
SMILESCC(c1ccc(-c2ccc(-c3cccnc3)cc2)cc1)N1CCCC1
InChIInChI=1S/C23H24N2/c1-18(25-15-2-3-16-25)19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-5-4-14-24-17-23/h4-14,17-18H,2-3,15-16H2,1H3
InChIKeyPTASVEKRXCZTDY-UHFFFAOYSA-N
XLogP5.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 143128965
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
CID 122558610
3-azulen-6-ylpyridine
CID 86232079
5-fluoro-2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 126453075
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
3-[(1R)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyridine
CID 95276591
4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine
CID 126428744
1-[1-[4-(4-thiophen-3-ylphenyl)phenyl]ethyl]pyrrolidine
CID 11515502
3-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1,2,5-thiadiazole
CID 126438753

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine (CID 11602342) is 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine is CC(c1ccc(-c2ccc(-c3cccnc3)cc2)cc1)N1CCCC1.
What is the InChIKey of 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine?
The InChIKey is PTASVEKRXCZTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-18(25-15-2-3-16-25)19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-5-4-14-24-17-23/h4-14,17-18H,2-3,15-16H2,1H3.
What are the key properties of 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine?
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine has a molecular weight of 328.46 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 11602342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).