4-(5-methyltriazol-1-yl)piperidine

C8H14N4 — CID 18419684

IUPAC4-(5-methyltriazol-1-yl)piperidine
SMILESCc1cnnn1C1CCNCC1
InChIInChI=1S/C8H14N4/c1-7-6-10-11-12(7)8-2-4-9-5-3-8/h6,8-9H,2-5H2,1H3
InChIKeyVMPRGXHRBMHXOH-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.51
Rot. Bonds1

About 4-(5-methyltriazol-1-yl)piperidine

4-(5-methyltriazol-1-yl)piperidine (PubChem CID 18419684) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-(5-methyltriazol-1-yl)piperidine.

Molecular Properties

Compound Name4-(5-methyltriazol-1-yl)piperidine
PubChem CID18419684
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-(5-methyltriazol-1-yl)piperidine
SMILESCc1cnnn1C1CCNCC1
InChIInChI=1S/C8H14N4/c1-7-6-10-11-12(7)8-2-4-9-5-3-8/h6,8-9H,2-5H2,1H3
InChIKeyVMPRGXHRBMHXOH-UHFFFAOYSA-N
XLogP0.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,7-Tetrahydrotriazolo[1,5-a]pyrazine
CID 16228907
4H,5H,6H,7H-(1,2,3)triazolo(1,5-a)pyrazine hydrochloride
CID 43810469
4-(5-methyl-1H-1,2,3-triazol-1-yl)piperidine dihydrochloride
CID 154856451
N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine
CID 126815328
trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 164642380
(3R,4R)-1-ethyl-3-fluoro-4-(4-methyltriazol-1-yl)piperidine
CID 124189029
(3R,4R)-3-fluoro-4-(4-methyltriazol-1-yl)piperidine
CID 124189032
(3S)-3-fluoro-4-(4-methyltriazol-1-yl)piperidine
CID 124189037
3,3-Difluoro-5-(4-methyltriazol-1-yl)piperidine
CID 124189188
4-(4-Methyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 124189204
5-(4-Ethyltriazol-1-yl)-3,3-difluoropiperidine
CID 132246927
3,3-Difluoro-4-(4-methyltriazol-1-yl)piperidine;hydrochloride
CID 176308619

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltriazol-1-yl)piperidine?
The IUPAC name of 4-(5-methyltriazol-1-yl)piperidine (CID 18419684) is 4-(5-methyltriazol-1-yl)piperidine.
What is the SMILES notation for 4-(5-methyltriazol-1-yl)piperidine?
The canonical SMILES for 4-(5-methyltriazol-1-yl)piperidine is Cc1cnnn1C1CCNCC1.
What is the InChIKey of 4-(5-methyltriazol-1-yl)piperidine?
The InChIKey is VMPRGXHRBMHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7-6-10-11-12(7)8-2-4-9-5-3-8/h6,8-9H,2-5H2,1H3.
What are the key properties of 4-(5-methyltriazol-1-yl)piperidine?
4-(5-methyltriazol-1-yl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltriazol-1-yl)piperidine is sourced from PubChem (CID 18419684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).