3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine

C10H18N4 — CID 107054729

IUPAC3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
SMILESCC1CCCNC1Cc1cn(C)nn1
InChIInChI=1S/C10H18N4/c1-8-4-3-5-11-10(8)6-9-7-14(2)13-12-9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyILSCVQKHGILNBK-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.75
Rot. Bonds2

About 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine

3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine (PubChem CID 107054729) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
PubChem CID107054729
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
SMILESCC1CCCNC1Cc1cn(C)nn1
InChIInChI=1S/C10H18N4/c1-8-4-3-5-11-10(8)6-9-7-14(2)13-12-9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyILSCVQKHGILNBK-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

3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778148
1-(azepan-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062173
3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056206
4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107054467
2-methyl-3-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-ol
CID 107055028
2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one
CID 107044513
3-tert-butyl-7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056275
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
CID 107054887
2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one
CID 107044522

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine (CID 107054729) is 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine is CC1CCCNC1Cc1cn(C)nn1.
What is the InChIKey of 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine?
The InChIKey is ILSCVQKHGILNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-4-3-5-11-10(8)6-9-7-14(2)13-12-9/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine?
3-methyl-2-[(1-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 3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 107054729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).