1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride

C21H29ClN6O — CID 6602674

IUPAC1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
SMILESCC(C)C(c1nnnn1Cc1ccccc1)N1CCN(Cc2ccco2)CC1.Cl
InChIInChI=1S/C21H28N6O.ClH/c1-17(2)20(21-22-23-24-27(21)15-18-7-4-3-5-8-18)26-12-10-25(11-13-26)16-19-9-6-14-28-19;/h3-9,14,17,20H,10-13,15-16H2,1-2H3;1H
InChIKeyDDCNKXWHNSFPOV-UHFFFAOYSA-N
MW416.96 g/mol
LogP3.25
Rot. Bonds7

About 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride

1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride (PubChem CID 6602674) has the molecular formula C21H29ClN6O and a molecular weight of 416.96 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
PubChem CID6602674
Molecular FormulaC21H29ClN6O
Molecular Weight416.96 g/mol
Exact Mass416.21
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
SMILESCC(C)C(c1nnnn1Cc1ccccc1)N1CCN(Cc2ccco2)CC1.Cl
InChIInChI=1S/C21H28N6O.ClH/c1-17(2)20(21-22-23-24-27(21)15-18-7-4-3-5-8-18)26-12-10-25(11-13-26)16-19-9-6-14-28-19;/h3-9,14,17,20H,10-13,15-16H2,1-2H3;1H
InChIKeyDDCNKXWHNSFPOV-UHFFFAOYSA-N
XLogP3.25
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.96
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride (CID 6602674) is 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride is CC(C)C(c1nnnn1Cc1ccccc1)N1CCN(Cc2ccco2)CC1.Cl.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is DDCNKXWHNSFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O.ClH/c1-17(2)20(21-22-23-24-27(21)15-18-7-4-3-5-8-18)26-12-10-25(11-13-26)16-19-9-6-14-28-19;/h3-9,14,17,20H,10-13,15-16H2,1-2H3;1H.
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride?
1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 416.96 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 6602674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).