1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride

C19H37ClN6 — CID 6602632

IUPAC1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride
SMILESCC(C)CC(c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C19H36N6.ClH/c1-15(2)14-17(18-20-21-22-25(18)19(3,4)5)24-12-10-23(11-13-24)16-8-6-7-9-16;/h15-17H,6-14H2,1-5H3;1H
InChIKeyHHWBFJAUFFHYSP-UHFFFAOYSA-N
MW385.00 g/mol
LogP3.50
Rot. Bonds5

About 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride

1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride (PubChem CID 6602632) has the molecular formula C19H37ClN6 and a molecular weight of 385.00 g/mol. Its IUPAC name is 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride
PubChem CID6602632
Molecular FormulaC19H37ClN6
Molecular Weight385.00 g/mol
Exact Mass384.28
IUPAC Name1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride
SMILESCC(C)CC(c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C19H36N6.ClH/c1-15(2)14-17(18-20-21-22-25(18)19(3,4)5)24-12-10-23(11-13-24)16-8-6-7-9-16;/h15-17H,6-14H2,1-5H3;1H
InChIKeyHHWBFJAUFFHYSP-UHFFFAOYSA-N
XLogP3.50
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.00
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Cyclopentyl-4-{1-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 6602637
1-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-4-cyclopentyl-piperazine
CID 6602651
1-Cyclopentyl-4-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-pentyl]-piperazine
CID 6603055
1-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-propyl]-4-cyclopentyl-piperazine
CID 6603476
1-Cyclohexyl-4-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-pentyl]-piperazine
CID 656327
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-propyl]-4-cyclopentyl-piperazine
CID 655057
1-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-4-cyclopentyl-piperazine
CID 655281
Cyclohexyl-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-methyl-amine
CID 6602534
1-Cyclopentyl-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 6603189
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine
CID 9549573
1-{1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-4-methyl-piperazine
CID 6603163
Cyclohexyl-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-2-methylpropyl]methylamine
CID 648509

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride?
The IUPAC name of 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride (CID 6602632) is 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride?
The canonical SMILES for 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride is CC(C)CC(c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1.Cl.
What is the InChIKey of 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride?
The InChIKey is HHWBFJAUFFHYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6.ClH/c1-15(2)14-17(18-20-21-22-25(18)19(3,4)5)24-12-10-23(11-13-24)16-8-6-7-9-16;/h15-17H,6-14H2,1-5H3;1H.
What are the key properties of 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride?
1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride has a molecular weight of 385.00 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-cyclopentylpiperazine;hydrochloride is sourced from PubChem (CID 6602632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).