1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride

C14H27ClN6 — CID 171668130

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride
SMILESCCC(c1nnnn1C1CCCC1)N1CCN(C)CC1.Cl
InChIInChI=1S/C14H26N6.ClH/c1-3-13(19-10-8-18(2)9-11-19)14-15-16-17-20(14)12-6-4-5-7-12;/h12-13H,3-11H2,1-2H3;1H
InChIKeyUPKSNUOYOKRKEW-UHFFFAOYSA-N
MW314.87 g/mol
LogP1.91
Rot. Bonds4

About 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride

1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride (PubChem CID 171668130) has the molecular formula C14H27ClN6 and a molecular weight of 314.87 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride
PubChem CID171668130
Molecular FormulaC14H27ClN6
Molecular Weight314.87 g/mol
Exact Mass314.20
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride
SMILESCCC(c1nnnn1C1CCCC1)N1CCN(C)CC1.Cl
InChIInChI=1S/C14H26N6.ClH/c1-3-13(19-10-8-18(2)9-11-19)14-15-16-17-20(14)12-6-4-5-7-12;/h12-13H,3-11H2,1-2H3;1H
InChIKeyUPKSNUOYOKRKEW-UHFFFAOYSA-N
XLogP1.91
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.87
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
CID 3208531
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-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)pentyl]-4-cyclopentylpiperazine
CID 7383612
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
CID 1443209
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
2-[4-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperazin-1-yl]-1,3-benzothiazole
CID 3700083
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine
CID 1443230
1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine
CID 3208612
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-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride (CID 171668130) is 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride is CCC(c1nnnn1C1CCCC1)N1CCN(C)CC1.Cl.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride?
The InChIKey is UPKSNUOYOKRKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6.ClH/c1-3-13(19-10-8-18(2)9-11-19)14-15-16-17-20(14)12-6-4-5-7-12;/h12-13H,3-11H2,1-2H3;1H.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride?
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride has a molecular weight of 314.87 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 171668130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).