1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride

C19H31ClN6 — CID 171668184

IUPAC1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1C(C)(C)C)N1CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C19H30N6.ClH/c1-5-17(18-20-21-22-25(18)19(2,3)4)24-13-11-23(12-14-24)15-16-9-7-6-8-10-16;/h6-10,17H,5,11-15H2,1-4H3;1H
InChIKeyDEERQMDFFYURQY-UHFFFAOYSA-N
MW378.95 g/mol
LogP3.12
Rot. Bonds5

About 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride

1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride (PubChem CID 171668184) has the molecular formula C19H31ClN6 and a molecular weight of 378.95 g/mol. Its IUPAC name is 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride
PubChem CID171668184
Molecular FormulaC19H31ClN6
Molecular Weight378.95 g/mol
Exact Mass378.23
IUPAC Name1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1C(C)(C)C)N1CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C19H30N6.ClH/c1-5-17(18-20-21-22-25(18)19(2,3)4)24-13-11-23(12-14-24)15-16-9-7-6-8-10-16;/h6-10,17H,5,11-15H2,1-4H3;1H
InChIKeyDEERQMDFFYURQY-UHFFFAOYSA-N
XLogP3.12
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride 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-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
CID 1443719
1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 1444378
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
CID 171668375
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 3208984
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 857913
1-(1,3-benzodioxol-5-ylmethyl)-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668213
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-benzyl-4-[(3,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668241
6-[(4-benzylpiperazin-1-yl)-(1-tert-butyltetrazol-5-yl)methyl]quinoline
CID 3193630
1-(4-benzylpiperazin-1-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylethanone
CID 9379248
1-benzyl-4-[(R)-(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 51625627

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride (CID 171668184) is 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride is CCC(c1nnnn1C(C)(C)C)N1CCN(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride?
The InChIKey is DEERQMDFFYURQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6.ClH/c1-5-17(18-20-21-22-25(18)19(2,3)4)24-13-11-23(12-14-24)15-16-9-7-6-8-10-16;/h6-10,17H,5,11-15H2,1-4H3;1H.
What are the key properties of 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride?
1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171668184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).