4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine

C17H20N2O — CID 141236544

IUPAC4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
SMILESc1cc(Oc2ccc(CCN3CCCC3)cc2)ccn1
InChIInChI=1S/C17H20N2O/c1-2-13-19(12-1)14-9-15-3-5-16(6-4-15)20-17-7-10-18-11-8-17/h3-8,10-11H,1-2,9,12-14H2
InChIKeyLABHHUYOJGEGGX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.51
Rot. Bonds5

About 4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine

4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine (PubChem CID 141236544) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine.

Molecular Properties

Compound Name4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
PubChem CID141236544
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
SMILESc1cc(Oc2ccc(CCN3CCCC3)cc2)ccn1
InChIInChI=1S/C17H20N2O/c1-2-13-19(12-1)14-9-15-3-5-16(6-4-15)20-17-7-10-18-11-8-17/h3-8,10-11H,1-2,9,12-14H2
InChIKeyLABHHUYOJGEGGX-UHFFFAOYSA-N
XLogP3.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
CID 141236545
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole
CID 11393104
2-[4-[2-(azepan-1-yl)ethyl]phenoxy]-1,3-benzothiazole
CID 11451021
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 59557946
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine
CID 122158640

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine?
The IUPAC name of 4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine (CID 141236544) is 4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine.
What is the SMILES notation for 4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine?
The canonical SMILES for 4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine is c1cc(Oc2ccc(CCN3CCCC3)cc2)ccn1.
What is the InChIKey of 4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine?
The InChIKey is LABHHUYOJGEGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13-19(12-1)14-9-15-3-5-16(6-4-15)20-17-7-10-18-11-8-17/h3-8,10-11H,1-2,9,12-14H2.
What are the key properties of 4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine?
4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine has a molecular weight of 268.36 g/mol, XLogP of 3.51, 5 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-ylethyl)phenoxy]pyridine is sourced from PubChem (CID 141236544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).