1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride

C16H31ClN6 — CID 6603189

IUPAC1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1C(C)C)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C16H30N6.ClH/c1-4-15(16-17-18-19-22(16)13(2)3)21-11-9-20(10-12-21)14-7-5-6-8-14;/h13-15H,4-12H2,1-3H3;1H
InChIKeyQHCUGEIFUDKPTH-UHFFFAOYSA-N
MW342.92 g/mol
LogP2.69
Rot. Bonds5

About 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride

1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride (PubChem CID 6603189) has the molecular formula C16H31ClN6 and a molecular weight of 342.92 g/mol. Its IUPAC name is 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride
PubChem CID6603189
Molecular FormulaC16H31ClN6
Molecular Weight342.92 g/mol
Exact Mass342.23
IUPAC Name1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1C(C)C)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C16H30N6.ClH/c1-4-15(16-17-18-19-22(16)13(2)3)21-11-9-20(10-12-21)14-7-5-6-8-14;/h13-15H,4-12H2,1-3H3;1H
InChIKeyQHCUGEIFUDKPTH-UHFFFAOYSA-N
XLogP2.69
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.92
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride (CID 6603189) is 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride is CCC(c1nnnn1C(C)C)N1CCN(C2CCCC2)CC1.Cl.
What is the InChIKey of 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride?
The InChIKey is QHCUGEIFUDKPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6.ClH/c1-4-15(16-17-18-19-22(16)13(2)3)21-11-9-20(10-12-21)14-7-5-6-8-14;/h13-15H,4-12H2,1-3H3;1H.
What are the key properties of 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride?
1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride has a molecular weight of 342.92 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 6603189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).