1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine

C17H21N3O — CID 25263310

IUPAC1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
SMILESCc1c(OCc2cccnc2)cccc1N1CCNCC1
InChIInChI=1S/C17H21N3O/c1-14-16(20-10-8-18-9-11-20)5-2-6-17(14)21-13-15-4-3-7-19-12-15/h2-7,12,18H,8-11,13H2,1H3
InChIKeyFEQYLTXEIHJICQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine

1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine (PubChem CID 25263310) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
PubChem CID25263310
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
SMILESCc1c(OCc2cccnc2)cccc1N1CCNCC1
InChIInChI=1S/C17H21N3O/c1-14-16(20-10-8-18-9-11-20)5-2-6-17(14)21-13-15-4-3-7-19-12-15/h2-7,12,18H,8-11,13H2,1H3
InChIKeyFEQYLTXEIHJICQ-UHFFFAOYSA-N
XLogP2.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine 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-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 83137838
1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
CID 67387967
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
CID 62700527
[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 43145276
4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one
CID 16735942
8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline
CID 67504085
1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine
CID 171833564
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583
8-piperazin-1-ylisoquinoline
CID 21070960
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine?
The IUPAC name of 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine (CID 25263310) is 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine.
What is the SMILES notation for 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine?
The canonical SMILES for 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine is Cc1c(OCc2cccnc2)cccc1N1CCNCC1.
What is the InChIKey of 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine?
The InChIKey is FEQYLTXEIHJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-16(20-10-8-18-9-11-20)5-2-6-17(14)21-13-15-4-3-7-19-12-15/h2-7,12,18H,8-11,13H2,1H3.
What are the key properties of 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine?
1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine has a molecular weight of 283.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine is sourced from PubChem (CID 25263310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).