1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride

C21H29ClN6S — CID 6603093

IUPAC1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
SMILESCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C21H28N6S.ClH/c1-21(2,3)27-20(22-23-24-27)19(18-10-7-15-28-18)26-13-11-25(12-14-26)16-17-8-5-4-6-9-17;/h4-10,15,19H,11-14,16H2,1-3H3;1H
InChIKeyJALHSCNSRQJSPS-UHFFFAOYSA-N
MW433.03 g/mol
LogP3.82
Rot. Bonds5

About 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride

1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride (PubChem CID 6603093) has the molecular formula C21H29ClN6S and a molecular weight of 433.03 g/mol. Its IUPAC name is 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
PubChem CID6603093
Molecular FormulaC21H29ClN6S
Molecular Weight433.03 g/mol
Exact Mass432.19
IUPAC Name1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
SMILESCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C21H28N6S.ClH/c1-21(2,3)27-20(22-23-24-27)19(18-10-7-15-28-18)26-13-11-25(12-14-26)16-17-8-5-4-6-9-17;/h4-10,15,19H,11-14,16H2,1-3H3;1H
InChIKeyJALHSCNSRQJSPS-UHFFFAOYSA-N
XLogP3.82
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.03
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]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-benzhydryl-4-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 28626221
1-[(R)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-methylpiperazine
CID 1489640
4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
CID 1431022
1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride
CID 171668184
1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
CID 51685867
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 3208984
1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
CID 1443719
1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 3193621
6-[(4-benzylpiperazin-1-yl)-(1-tert-butyltetrazol-5-yl)methyl]quinoline
CID 3193630
4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
CID 1431025
(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51613857
1-benzyl-4-[(3,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668241

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride (CID 6603093) is 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride is CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride?
The InChIKey is JALHSCNSRQJSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6S.ClH/c1-21(2,3)27-20(22-23-24-27)19(18-10-7-15-28-18)26-13-11-25(12-14-26)16-17-8-5-4-6-9-17;/h4-10,15,19H,11-14,16H2,1-3H3;1H.
What are the key properties of 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride?
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride has a molecular weight of 433.03 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 6603093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).