1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine

C21H25N5O — CID 120754417

IUPAC1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESCn1ccnc1COc1ccc(CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C21H25N5O/c1-25-11-10-24-21(25)16-27-19-6-4-17(5-7-19)15-26-12-9-23-14-20(26)18-3-2-8-22-13-18/h2-8,10-11,13,20,23H,9,12,14-16H2,1H3
InChIKeyHHTRSUQZQMECTJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.54
Rot. Bonds6

About 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine

1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120754417) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine
PubChem CID120754417
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESCn1ccnc1COc1ccc(CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C21H25N5O/c1-25-11-10-24-21(25)16-27-19-6-4-17(5-7-19)15-26-12-9-23-14-20(26)18-3-2-8-22-13-18/h2-8,10-11,13,20,23H,9,12,14-16H2,1H3
InChIKeyHHTRSUQZQMECTJ-UHFFFAOYSA-N
XLogP2.54
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431
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
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768294
1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768336
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine (CID 120754417) is 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine is Cn1ccnc1COc1ccc(CN2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is HHTRSUQZQMECTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25-11-10-24-21(25)16-27-19-6-4-17(5-7-19)15-26-12-9-23-14-20(26)18-3-2-8-22-13-18/h2-8,10-11,13,20,23H,9,12,14-16H2,1H3.
What are the key properties of 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine?
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 363.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120754417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).