2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine

C12H22N4 — CID 84687903

IUPAC2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine
SMILESCC(C)Cn1nncc1CC1CCCCN1
InChIInChI=1S/C12H22N4/c1-10(2)9-16-12(8-14-15-16)7-11-5-3-4-6-13-11/h8,10-11,13H,3-7,9H2,1-2H3
InChIKeyMTHYQASPDGNIPD-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.62
Rot. Bonds4

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

2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine (PubChem CID 84687903) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine
PubChem CID84687903
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine
SMILESCC(C)Cn1nncc1CC1CCCCN1
InChIInChI=1S/C12H22N4/c1-10(2)9-16-12(8-14-15-16)7-11-5-3-4-6-13-11/h8,10-11,13H,3-7,9H2,1-2H3
InChIKeyMTHYQASPDGNIPD-UHFFFAOYSA-N
XLogP1.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-methyltriazol-1-yl)ethyl]piperidine
CID 82222439
2-[(5-chlorotriazol-1-yl)methyl]piperidine
CID 84776015
2-[(5-cyclobutyltriazol-1-yl)methyl]piperidine
CID 115032296
2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84698905
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
1-(2-methylpropyl)-4-(2-piperidin-2-ylethyl)piperazine
CID 62777599
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine
CID 84685102
3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
CID 115009220
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine?
The IUPAC name of 2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine (CID 84687903) is 2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine.
What is the SMILES notation for 2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine?
The canonical SMILES for 2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine is CC(C)Cn1nncc1CC1CCCCN1.
What is the InChIKey of 2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine?
The InChIKey is MTHYQASPDGNIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)9-16-12(8-14-15-16)7-11-5-3-4-6-13-11/h8,10-11,13H,3-7,9H2,1-2H3.
What are the key properties of 2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine?
2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine is sourced from PubChem (CID 84687903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).