1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine

C20H30N6 — CID 654381

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(Cc3nnnn3C3CCCCC3)CC2)c1
InChIInChI=1S/C20H30N6/c1-16-8-9-17(2)19(14-16)25-12-10-24(11-13-25)15-20-21-22-23-26(20)18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13,15H2,1-2H3
InChIKeyRUADILRDEWPHGE-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.12
Rot. Bonds4

About 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine

1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine (PubChem CID 654381) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
PubChem CID654381
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(Cc3nnnn3C3CCCCC3)CC2)c1
InChIInChI=1S/C20H30N6/c1-16-8-9-17(2)19(14-16)25-12-10-24(11-13-25)15-20-21-22-23-26(20)18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13,15H2,1-2H3
InChIKeyRUADILRDEWPHGE-UHFFFAOYSA-N
XLogP3.12
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine (CID 654381) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCN(Cc3nnnn3C3CCCCC3)CC2)c1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is RUADILRDEWPHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-16-8-9-17(2)19(14-16)25-12-10-24(11-13-25)15-20-21-22-23-26(20)18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13,15H2,1-2H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine?
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 354.50 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 654381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).