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

C18H22N2O — CID 10636646

IUPAC4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine
SMILESc1cc(Cc2ccc(OCCN3CCCC3)cc2)ccn1
InChIInChI=1S/C18H22N2O/c1-2-12-20(11-1)13-14-21-18-5-3-16(4-6-18)15-17-7-9-19-10-8-17/h3-10H,1-2,11-15H2
InChIKeyBDTDMHZPVSUFQE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds6

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

4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine (PubChem CID 10636646) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine
PubChem CID10636646
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine
SMILESc1cc(Cc2ccc(OCCN3CCCC3)cc2)ccn1
InChIInChI=1S/C18H22N2O/c1-2-12-20(11-1)13-14-21-18-5-3-16(4-6-18)15-17-7-9-19-10-8-17/h3-10H,1-2,11-15H2
InChIKeyBDTDMHZPVSUFQE-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 4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine?
The IUPAC name of 4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine (CID 10636646) is 4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine.
What is the SMILES notation for 4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine?
The canonical SMILES for 4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine is c1cc(Cc2ccc(OCCN3CCCC3)cc2)ccn1.
What is the InChIKey of 4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine?
The InChIKey is BDTDMHZPVSUFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-12-20(11-1)13-14-21-18-5-3-16(4-6-18)15-17-7-9-19-10-8-17/h3-10H,1-2,11-15H2.
What are the key properties of 4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine?
4-[[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 4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridine is sourced from PubChem (CID 10636646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).