(2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

C9H16N4 — CID 176650185

IUPAC(2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC[C@@H]1C[C@H](c2nncn2C)CCN1
InChIInChI=1S/C9H16N4/c1-7-5-8(3-4-10-7)9-12-11-6-13(9)2/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyFNLFRMXSGCSMCR-HTQZYQBOSA-N
MW180.25 g/mol
LogP0.67
Rot. Bonds1

About (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

(2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 176650185) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID176650185
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC[C@@H]1C[C@H](c2nncn2C)CCN1
InChIInChI=1S/C9H16N4/c1-7-5-8(3-4-10-7)9-12-11-6-13(9)2/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyFNLFRMXSGCSMCR-HTQZYQBOSA-N
XLogP0.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 176650185) is (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is C[C@@H]1C[C@H](c2nncn2C)CCN1.
What is the InChIKey of (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is FNLFRMXSGCSMCR-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-5-8(3-4-10-7)9-12-11-6-13(9)2/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
(2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 176650185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).