1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride

C21H26Cl2N6O — CID 6602644

IUPAC1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2Cl)N2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C21H25ClN6O.ClH/c1-26-11-13-27(14-12-26)20(18-5-3-4-6-19(18)22)21-23-24-25-28(21)15-16-7-9-17(29-2)10-8-16;/h3-10,20H,11-15H2,1-2H3;1H
InChIKeyDZCWHEMFMLUWIP-UHFFFAOYSA-N
MW449.39 g/mol
LogP3.14
Rot. Bonds6

About 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride

1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride (PubChem CID 6602644) has the molecular formula C21H26Cl2N6O and a molecular weight of 449.39 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
PubChem CID6602644
Molecular FormulaC21H26Cl2N6O
Molecular Weight449.39 g/mol
Exact Mass448.15
IUPAC Name1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2Cl)N2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C21H25ClN6O.ClH/c1-26-11-13-27(14-12-26)20(18-5-3-4-6-19(18)22)21-23-24-25-28(21)15-16-7-9-17(29-2)10-8-16;/h3-10,20H,11-15H2,1-2H3;1H
InChIKeyDZCWHEMFMLUWIP-UHFFFAOYSA-N
XLogP3.14
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
5-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-tetrazole
CID 892565
1-{(2-Chloro-phenyl)-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-piperidine-4-carboxylic acid amide
CID 3210027
1-Cyclopentyl-4-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperazine
CID 6602647
1-({1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-phenyl-methyl)-4-methyl-piperazine
CID 6603054
1-({1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-phenyl-methyl)-4-ethyl-piperazine
CID 6603100
1-Cyclopentyl-4-[(4-methoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6603101
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-methyl-piperidine
CID 6603172
1-Allyl-4-((4-chloro-phenyl)-{1-[2-(3,4-dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-methyl)-piperazine
CID 6603187
1-((4-Chloro-phenyl)-{1-[2-(3,4-dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-methyl)-4-methyl-piperazine
CID 6603328

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride (CID 6602644) is 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride is COc1ccc(Cn2nnnc2C(c2ccccc2Cl)N2CCN(C)CC2)cc1.Cl.
What is the InChIKey of 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride?
The InChIKey is DZCWHEMFMLUWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O.ClH/c1-26-11-13-27(14-12-26)20(18-5-3-4-6-19(18)22)21-23-24-25-28(21)15-16-7-9-17(29-2)10-8-16;/h3-10,20H,11-15H2,1-2H3;1H.
What are the key properties of 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride?
1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride has a molecular weight of 449.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 6602644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).