1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

C10H18N4 — CID 143132022

IUPAC1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESCN1CCC(CCn2cncn2)CC1
InChIInChI=1S/C10H18N4/c1-13-5-2-10(3-6-13)4-7-14-9-11-8-12-14/h8-10H,2-7H2,1H3
InChIKeyDBUCLIPSPMFEIS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.01
Rot. Bonds3

About 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (PubChem CID 143132022) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
PubChem CID143132022
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESCN1CCC(CCn2cncn2)CC1
InChIInChI=1S/C10H18N4/c1-13-5-2-10(3-6-13)4-7-14-9-11-8-12-14/h8-10H,2-7H2,1H3
InChIKeyDBUCLIPSPMFEIS-UHFFFAOYSA-N
XLogP1.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine
CID 119909413
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
CID 163390202
1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole
CID 65165120
4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 136522753
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanenitrile
CID 65251808
1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole
CID 130166985
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 80552392
N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 119928396
1-(4,4-dimethylpentyl)-1,2,4-triazole
CID 59119249
4-chloro-3-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 130559431
ethyl 1-amino-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571411

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The IUPAC name of 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (CID 143132022) is 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The canonical SMILES for 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is CN1CCC(CCn2cncn2)CC1.
What is the InChIKey of 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The InChIKey is DBUCLIPSPMFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-13-5-2-10(3-6-13)4-7-14-9-11-8-12-14/h8-10H,2-7H2,1H3.
What are the key properties of 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 143132022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).