3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine

C18H22N2O — CID 10636647

IUPAC3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine
SMILESc1cncc(Cc2ccc(OCCN3CCCC3)cc2)c1
InChIInChI=1S/C18H22N2O/c1-2-11-20(10-1)12-13-21-18-7-5-16(6-8-18)14-17-4-3-9-19-15-17/h3-9,15H,1-2,10-14H2
InChIKeyKAFCMTIBCAFDTA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds6

About 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine

3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine (PubChem CID 10636647) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine
PubChem CID10636647
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine
SMILESc1cncc(Cc2ccc(OCCN3CCCC3)cc2)c1
InChIInChI=1S/C18H22N2O/c1-2-11-20(10-1)12-13-21-18-7-5-16(6-8-18)14-17-4-3-9-19-15-17/h3-9,15H,1-2,10-14H2
InChIKeyKAFCMTIBCAFDTA-UHFFFAOYSA-N
XLogP3.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine?
The IUPAC name of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine (CID 10636647) is 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine?
The canonical SMILES for 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine is c1cncc(Cc2ccc(OCCN3CCCC3)cc2)c1.
What is the InChIKey of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine?
The InChIKey is KAFCMTIBCAFDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-11-20(10-1)12-13-21-18-7-5-16(6-8-18)14-17-4-3-9-19-15-17/h3-9,15H,1-2,10-14H2.
What are the key properties of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine?
3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine is sourced from PubChem (CID 10636647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).