1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine

C23H30N6 — CID 1443785

IUPAC1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N6/c1-23(2,3)29-21(24-25-26-29)18-27-14-16-28(17-15-27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3
InChIKeyJRPWIKCYHWOKAZ-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.34
Rot. Bonds5

About 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine

1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine (PubChem CID 1443785) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine
PubChem CID1443785
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N6/c1-23(2,3)29-21(24-25-26-29)18-27-14-16-28(17-15-27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3
InChIKeyJRPWIKCYHWOKAZ-UHFFFAOYSA-N
XLogP3.34
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158698
3-[(4-Benzyl-piperidin-1-yl)-(1-tert-butyl-1H-tetrazol-5-yl)-methyl]-benzonitrile
CID 645425
1-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158813
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-methyl-1,4-diazepane
CID 49865047
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-ethyl-1,4-diazepane
CID 49865048
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclopentyl-1,4-diazepane
CID 49865109
1-((1-benzyl-1H-tetrazol-5-yl)(4-isopropylphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865448
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(3-phenylpropyl)piperazine
CID 137635327

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine (CID 1443785) is 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine is CC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine?
The InChIKey is JRPWIKCYHWOKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-23(2,3)29-21(24-25-26-29)18-27-14-16-28(17-15-27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3.
What are the key properties of 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine?
1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine has a molecular weight of 390.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(1-tert-butyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 1443785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).