2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine

C17H21N3O — CID 110109334

IUPAC2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCOc1ccc(C2CNCCN2Cc2ccncc2)cc1
InChIInChI=1S/C17H21N3O/c1-21-16-4-2-15(3-5-16)17-12-19-10-11-20(17)13-14-6-8-18-9-7-14/h2-9,17,19H,10-13H2,1H3
InChIKeyMLBVLUIQIGYIJG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine

2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 110109334) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
PubChem CID110109334
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCOc1ccc(C2CNCCN2Cc2ccncc2)cc1
InChIInChI=1S/C17H21N3O/c1-21-16-4-2-15(3-5-16)17-12-19-10-11-20(17)13-14-6-8-18-9-7-14/h2-9,17,19H,10-13H2,1H3
InChIKeyMLBVLUIQIGYIJG-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910181
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278
1-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910405
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine (CID 110109334) is 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine is COc1ccc(C2CNCCN2Cc2ccncc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is MLBVLUIQIGYIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-16-4-2-15(3-5-16)17-12-19-10-11-20(17)13-14-6-8-18-9-7-14/h2-9,17,19H,10-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine?
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 283.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 110109334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).