4-(1-ethyltetrazol-5-yl)-1-methylpiperidine

C9H17N5 — CID 118303262

IUPAC4-(1-ethyltetrazol-5-yl)-1-methylpiperidine
SMILESCCn1nnnc1C1CCN(C)CC1
InChIInChI=1S/C9H17N5/c1-3-14-9(10-11-12-14)8-4-6-13(2)7-5-8/h8H,3-7H2,1-2H3
InChIKeyVMBDOKXKBAFOQQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.50
Rot. Bonds2

About 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine

4-(1-ethyltetrazol-5-yl)-1-methylpiperidine (PubChem CID 118303262) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(1-ethyltetrazol-5-yl)-1-methylpiperidine
PubChem CID118303262
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-(1-ethyltetrazol-5-yl)-1-methylpiperidine
SMILESCCn1nnnc1C1CCN(C)CC1
InChIInChI=1S/C9H17N5/c1-3-14-9(10-11-12-14)8-4-6-13(2)7-5-8/h8H,3-7H2,1-2H3
InChIKeyVMBDOKXKBAFOQQ-UHFFFAOYSA-N
XLogP0.50
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine
CID 9549573
1-Methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
CID 652637
3-(5-Ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 19771039
1,5-Diisobutyltetrazol
CID 69031018
1-[1-(1-Cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 3173824
1-[1-(1-Cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine
CID 3208703
1-[(1-Cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine
CID 47022226
1-((1-Isopentyl-1H-tetrazol-5-yl)methyl)piperidine hydrochloride
CID 3030574
(1S,5R)-3-propan-2-yl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]-3-azabicyclo[3.1.0]hexane
CID 117660020
(1S,5R)-3-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]-3-azabicyclo[3.1.0]hexane
CID 117661545
3-Methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]-3-azabicyclo[3.1.0]hexane
CID 126708097
1,5-Dibutyltetrazole
CID 69031174

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine?
The IUPAC name of 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine (CID 118303262) is 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine?
The canonical SMILES for 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine is CCn1nnnc1C1CCN(C)CC1.
What is the InChIKey of 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine?
The InChIKey is VMBDOKXKBAFOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-14-9(10-11-12-14)8-4-6-13(2)7-5-8/h8H,3-7H2,1-2H3.
What are the key properties of 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine?
4-(1-ethyltetrazol-5-yl)-1-methylpiperidine has a molecular weight of 195.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyltetrazol-5-yl)-1-methylpiperidine is sourced from PubChem (CID 118303262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).