1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine

C17H21N3O — CID 120768234

IUPAC1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C17H21N3O/c1-21-16-6-4-14(5-7-16)13-20-10-9-19-12-17(20)15-3-2-8-18-11-15/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeyWKFGARQACBXFRF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.24
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine

1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120768234) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120768234
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C17H21N3O/c1-21-16-6-4-14(5-7-16)13-20-10-9-19-12-17(20)15-3-2-8-18-11-15/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeyWKFGARQACBXFRF-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

1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754750
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120754417
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine (CID 120768234) is 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine is COc1ccc(CN2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is WKFGARQACBXFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-16-6-4-14(5-7-16)13-20-10-9-19-12-17(20)15-3-2-8-18-11-15/h2-8,11,17,19H,9-10,12-13H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine?
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine 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 1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120768234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).