1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride

C20H37ClN6O — CID 6602653

IUPAC1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride
SMILESCC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C20H36N6O.ClH/c1-16(2)14-19(20-21-22-23-26(20)15-18-8-5-13-27-18)25-11-9-24(10-12-25)17-6-3-4-7-17;/h16-19H,3-15H2,1-2H3;1H
InChIKeySPCPHKWKHNJSJY-UHFFFAOYSA-N
MW413.01 g/mol
LogP2.92
Rot. Bonds7

About 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride

1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride (PubChem CID 6602653) has the molecular formula C20H37ClN6O and a molecular weight of 413.01 g/mol. Its IUPAC name is 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride
PubChem CID6602653
Molecular FormulaC20H37ClN6O
Molecular Weight413.01 g/mol
Exact Mass412.27
IUPAC Name1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride
SMILESCC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C20H36N6O.ClH/c1-16(2)14-19(20-21-22-23-26(20)15-18-8-5-13-27-18)25-11-9-24(10-12-25)17-6-3-4-7-17;/h16-19H,3-15H2,1-2H3;1H
InChIKeySPCPHKWKHNJSJY-UHFFFAOYSA-N
XLogP2.92
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.01
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride (CID 6602653) is 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride is CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1.Cl.
What is the InChIKey of 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride?
The InChIKey is SPCPHKWKHNJSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O.ClH/c1-16(2)14-19(20-21-22-23-26(20)15-18-8-5-13-27-18)25-11-9-24(10-12-25)17-6-3-4-7-17;/h16-19H,3-15H2,1-2H3;1H.
What are the key properties of 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride?
1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride has a molecular weight of 413.01 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride is sourced from PubChem (CID 6602653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).