1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine

C8H16N5+ — CID 123396608

IUPAC1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine
SMILESCN1CCC(n2c[n+](C)nn2)CC1
InChIInChI=1S/C8H16N5/c1-11-5-3-8(4-6-11)13-7-12(2)9-10-13/h7-8H,3-6H2,1-2H3/q+1
InChIKeyWHQLFYPICNHWEG-UHFFFAOYSA-N
MW182.25 g/mol
LogP-0.63
Rot. Bonds1

About 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine

1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine (PubChem CID 123396608) has the molecular formula C8H16N5+ and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine
PubChem CID123396608
Molecular FormulaC8H16N5+
Molecular Weight182.25 g/mol
Exact Mass182.14
IUPAC Name1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine
SMILESCN1CCC(n2c[n+](C)nn2)CC1
InChIInChI=1S/C8H16N5/c1-11-5-3-8(4-6-11)13-7-12(2)9-10-13/h7-8H,3-6H2,1-2H3/q+1
InChIKeyWHQLFYPICNHWEG-UHFFFAOYSA-N
XLogP-0.63
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-
CID 3039955
Tetrazole, 1-methyl-5-piperidino-
CID 123689062
1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine
CID 71861037
1-Cyclohexyl-5-(diethylamino)-1H-tetrazole hydrochloride
CID 3031883
3-Fluoro-1-methyl-4-(1,2,4-triazol-4-yl)piperidine
CID 124187552
N,N-diethyl-3-(tetrazol-1-yl)propan-1-amine
CID 85574215
1-(1-Cyclohexyltetrazol-5-yl)-4-methylpiperazine
CID 21029526
1-(1-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854915
1-Methyl-4-(tetrazol-1-yl)piperidine
CID 23389270
(3R)-1-propan-2-yl-3-(1,2,4-triazol-4-yl)piperidine
CID 57575208
(3S)-1-propan-2-yl-3-(1,2,4-triazol-4-yl)piperidine
CID 57575217
1-Propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 57830028

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine?
The IUPAC name of 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine (CID 123396608) is 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine?
The canonical SMILES for 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine is CN1CCC(n2c[n+](C)nn2)CC1.
What is the InChIKey of 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine?
The InChIKey is WHQLFYPICNHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N5/c1-11-5-3-8(4-6-11)13-7-12(2)9-10-13/h7-8H,3-6H2,1-2H3/q+1.
What are the key properties of 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine?
1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine has a molecular weight of 182.25 g/mol, XLogP of -0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyltetrazol-4-ium-1-yl)piperidine is sourced from PubChem (CID 123396608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).