1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine

C18H28N6O2 — CID 23969563

IUPAC1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine
SMILESCOc1ccc(OC)c(C(c2nnnn2C(C)C)N2CCN(C)CC2)c1
InChIInChI=1S/C18H28N6O2/c1-13(2)24-18(19-20-21-24)17(23-10-8-22(3)9-11-23)15-12-14(25-4)6-7-16(15)26-5/h6-7,12-13,17H,8-11H2,1-5H3
InChIKeyBXSNWXBUKKUGFL-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.61
Rot. Bonds6

About 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine

1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine (PubChem CID 23969563) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine
PubChem CID23969563
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine
SMILESCOc1ccc(OC)c(C(c2nnnn2C(C)C)N2CCN(C)CC2)c1
InChIInChI=1S/C18H28N6O2/c1-13(2)24-18(19-20-21-24)17(23-10-8-22(3)9-11-23)15-12-14(25-4)6-7-16(15)26-5/h6-7,12-13,17H,8-11H2,1-5H3
InChIKeyBXSNWXBUKKUGFL-UHFFFAOYSA-N
XLogP1.61
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(S)-(2,5-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7383122
1-[(R)-(2,5-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 28673564
1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 1446396
1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine
CID 3201612
1-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 43812329
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193
1-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3209614
1-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine;hydrochloride
CID 171668322
1-[(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 44753204
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292
1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-prop-2-enylpiperazine;hydrochloride
CID 171668407
1-[(2,5-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 652512

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine (CID 23969563) is 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine is COc1ccc(OC)c(C(c2nnnn2C(C)C)N2CCN(C)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine?
The InChIKey is BXSNWXBUKKUGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-13(2)24-18(19-20-21-24)17(23-10-8-22(3)9-11-23)15-12-14(25-4)6-7-16(15)26-5/h6-7,12-13,17H,8-11H2,1-5H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine?
1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine has a molecular weight of 360.46 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 23969563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).