1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine

C15H28N6 — CID 3208531

IUPAC1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
SMILESCCC(c1nnnn1C1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C15H28N6/c1-3-14(20-11-9-19(2)10-12-20)15-16-17-18-21(15)13-7-5-4-6-8-13/h13-14H,3-12H2,1-2H3
InChIKeyIYFBNKQTVPQRAU-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.88
Rot. Bonds4

About 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine

1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine (PubChem CID 3208531) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
PubChem CID3208531
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
SMILESCCC(c1nnnn1C1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C15H28N6/c1-3-14(20-11-9-19(2)10-12-20)15-16-17-18-21(15)13-7-5-4-6-8-13/h13-14H,3-12H2,1-2H3
InChIKeyIYFBNKQTVPQRAU-UHFFFAOYSA-N
XLogP1.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride
CID 171668130
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidine-4-carboxamide
CID 3208671
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)pentyl]-4-cyclopentylpiperazine
CID 7383612
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
2-[4-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperazin-1-yl]-1,3-benzothiazole
CID 3700083
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
CID 1443209
1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine
CID 3208612
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-cyclopentyl-4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
CID 857698
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine
CID 1443230
1-[(1-cyclohexyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-methylpiperazine
CID 3201719

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine (CID 3208531) is 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine is CCC(c1nnnn1C1CCCCC1)N1CCN(C)CC1.
What is the InChIKey of 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine?
The InChIKey is IYFBNKQTVPQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-3-14(20-11-9-19(2)10-12-20)15-16-17-18-21(15)13-7-5-4-6-8-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine?
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine has a molecular weight of 292.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine is sourced from PubChem (CID 3208531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).