2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine

C10H18N4 — CID 131145486

IUPAC2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine
SMILESCC1NCCCC1Cc1cnn(C)n1
InChIInChI=1S/C10H18N4/c1-8-9(4-3-5-11-8)6-10-7-12-14(2)13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyJIJZXRJYOOSCJJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.75
Rot. Bonds2

About 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine

2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine (PubChem CID 131145486) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine
PubChem CID131145486
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine
SMILESCC1NCCCC1Cc1cnn(C)n1
InChIInChI=1S/C10H18N4/c1-8-9(4-3-5-11-8)6-10-7-12-14(2)13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyJIJZXRJYOOSCJJ-UHFFFAOYSA-N
XLogP0.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole
CID 130592251
4-(cyclopentylsulfanylmethyl)-2-methyltriazole
CID 130723744
N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine
CID 118390239
(2-methylpiperidin-3-yl)methanol
CID 19019552
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778148
(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone
CID 130603335
1-[(2-methylcyclopentyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 107421507
3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107054729
(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
CID 130591920
N-methyl-1-[(2R,3S)-2-methylpiperidin-3-yl]methanamine
CID 143489270
4-[(2-methyltriazol-4-yl)methyl]thiolan-3-one
CID 130591892
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine (CID 131145486) is 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine is CC1NCCCC1Cc1cnn(C)n1.
What is the InChIKey of 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine?
The InChIKey is JIJZXRJYOOSCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-9(4-3-5-11-8)6-10-7-12-14(2)13-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine?
2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 131145486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).