1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride

C20H23Cl2N5O — CID 120846324

IUPAC1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccc(Cl)cc1-n1cncn1.Cl
InChIInChI=1S/C20H22ClN5O.ClH/c1-27-20-5-3-2-4-17(20)19-11-22-8-9-25(19)12-15-6-7-16(21)10-18(15)26-14-23-13-24-26;/h2-7,10,13-14,19,22H,8-9,11-12H2,1H3;1H
InChIKeyMXFJBIWLHJCYFX-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.50
Rot. Bonds5

About 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride

1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 120846324) has the molecular formula C20H23Cl2N5O and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID120846324
Molecular FormulaC20H23Cl2N5O
Molecular Weight420.34 g/mol
Exact Mass419.13
IUPAC Name1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccc(Cl)cc1-n1cncn1.Cl
InChIInChI=1S/C20H22ClN5O.ClH/c1-27-20-5-3-2-4-17(20)19-11-22-8-9-25(19)12-15-6-7-16(21)10-18(15)26-14-23-13-24-26;/h2-7,10,13-14,19,22H,8-9,11-12H2,1H3;1H
InChIKeyMXFJBIWLHJCYFX-UHFFFAOYSA-N
XLogP3.50
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride with MolForge

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Related Compounds

2-(2-methoxyphenyl)-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]piperazine;hydrochloride
CID 120767337
1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpiperazine
CID 120836992
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767334
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
CID 120753959
2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine
CID 120767270
1-[(2-chloro-4-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767488
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 120733399
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 120734009

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride (CID 120846324) is 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride is COc1ccccc1C1CNCCN1Cc1ccc(Cl)cc1-n1cncn1.Cl.
What is the InChIKey of 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is MXFJBIWLHJCYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O.ClH/c1-27-20-5-3-2-4-17(20)19-11-22-8-9-25(19)12-15-6-7-16(21)10-18(15)26-14-23-13-24-26;/h2-7,10,13-14,19,22H,8-9,11-12H2,1H3;1H.
What are the key properties of 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 420.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 120846324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).