1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride

C12H25ClN6 — CID 171667964

IUPAC1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride
SMILESCC(c1nnnn1C(C)(C)C)N1CCN(C)CC1.Cl
InChIInChI=1S/C12H24N6.ClH/c1-10(17-8-6-16(5)7-9-17)11-13-14-15-18(11)12(2,3)4;/h10H,6-9H2,1-5H3;1H
InChIKeyZAXBXJVQBPMFPJ-UHFFFAOYSA-N
MW288.83 g/mol
LogP1.16
Rot. Bonds2

About 1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride

1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride (PubChem CID 171667964) has the molecular formula C12H25ClN6 and a molecular weight of 288.83 g/mol. Its IUPAC name is 1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride
PubChem CID171667964
Molecular FormulaC12H25ClN6
Molecular Weight288.83 g/mol
Exact Mass288.18
IUPAC Name1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride
SMILESCC(c1nnnn1C(C)(C)C)N1CCN(C)CC1.Cl
InChIInChI=1S/C12H24N6.ClH/c1-10(17-8-6-16(5)7-9-17)11-13-14-15-18(11)12(2,3)4;/h10H,6-9H2,1-5H3;1H
InChIKeyZAXBXJVQBPMFPJ-UHFFFAOYSA-N
XLogP1.16
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.83
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-methylpiperazine
CID 860703
1-[(R)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-methylpiperazine
CID 1489640
1-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 3201741
1-[(S)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-methylpiperazine
CID 1444157
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1431296
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine
CID 1431560
1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
CID 131909626
1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 3209053
4-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine
CID 3193641
4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine
CID 1438536
N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085250
1-benzhydryl-4-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 28626221

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride (CID 171667964) is 1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride is CC(c1nnnn1C(C)(C)C)N1CCN(C)CC1.Cl.
What is the InChIKey of 1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride?
The InChIKey is ZAXBXJVQBPMFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6.ClH/c1-10(17-8-6-16(5)7-9-17)11-13-14-15-18(11)12(2,3)4;/h10H,6-9H2,1-5H3;1H.
What are the key properties of 1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride?
1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride has a molecular weight of 288.83 g/mol, XLogP of 1.16, 2 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)ethyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 171667964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).