4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine

C19H28N4 — CID 154845389

IUPAC4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCc1cccc(C2CCN(Cc3ncnn3C(C)C)CC2)c1C
InChIInChI=1S/C19H28N4/c1-14(2)23-19(20-13-21-23)12-22-10-8-17(9-11-22)18-7-5-6-15(3)16(18)4/h5-7,13-14,17H,8-12H2,1-4H3
InChIKeyGYRWHSLNNYXBEU-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.86
Rot. Bonds4

About 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine

4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 154845389) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID154845389
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCc1cccc(C2CCN(Cc3ncnn3C(C)C)CC2)c1C
InChIInChI=1S/C19H28N4/c1-14(2)23-19(20-13-21-23)12-22-10-8-17(9-11-22)18-7-5-6-15(3)16(18)4/h5-7,13-14,17H,8-12H2,1-4H3
InChIKeyGYRWHSLNNYXBEU-UHFFFAOYSA-N
XLogP3.86
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine (CID 154845389) is 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine is Cc1cccc(C2CCN(Cc3ncnn3C(C)C)CC2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is GYRWHSLNNYXBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-14(2)23-19(20-13-21-23)12-22-10-8-17(9-11-22)18-7-5-6-15(3)16(18)4/h5-7,13-14,17H,8-12H2,1-4H3.
What are the key properties of 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 312.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 154845389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).