1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride

C19H37ClN6 — CID 6602637

IUPAC1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride
SMILESCCCC(c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C19H36N6.ClH/c1-5-9-17(18-20-21-22-25(18)19(3,4)6-2)24-14-12-23(13-15-24)16-10-7-8-11-16;/h16-17H,5-15H2,1-4H3;1H
InChIKeyJRXUAYUMYUUNEP-UHFFFAOYSA-N
MW385.00 g/mol
LogP3.64
Rot. Bonds7

About 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride

1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride (PubChem CID 6602637) has the molecular formula C19H37ClN6 and a molecular weight of 385.00 g/mol. Its IUPAC name is 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride
PubChem CID6602637
Molecular FormulaC19H37ClN6
Molecular Weight385.00 g/mol
Exact Mass384.28
IUPAC Name1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride
SMILESCCCC(c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C19H36N6.ClH/c1-5-9-17(18-20-21-22-25(18)19(3,4)6-2)24-14-12-23(13-15-24)16-10-7-8-11-16;/h16-17H,5-15H2,1-4H3;1H
InChIKeyJRXUAYUMYUUNEP-UHFFFAOYSA-N
XLogP3.64
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.00
LogP ≤ 53.64
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-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride (CID 6602637) is 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride is CCCC(c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1.Cl.
What is the InChIKey of 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride?
The InChIKey is JRXUAYUMYUUNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6.ClH/c1-5-9-17(18-20-21-22-25(18)19(3,4)6-2)24-14-12-23(13-15-24)16-10-7-8-11-16;/h16-17H,5-15H2,1-4H3;1H.
What are the key properties of 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride?
1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride has a molecular weight of 385.00 g/mol, XLogP of 3.64, 7 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-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine;hydrochloride is sourced from PubChem (CID 6602637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).