4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine

C12H22N4 — CID 59903777

IUPAC4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
SMILESCc1nnc(C)n1C1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N4/c1-9(2)15-7-5-12(6-8-15)16-10(3)13-14-11(16)4/h9,12H,5-8H2,1-4H3
InChIKeyCEBJBLSUWPNILU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.94
Rot. Bonds2

About 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine

4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine (PubChem CID 59903777) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
PubChem CID59903777
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
SMILESCc1nnc(C)n1C1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N4/c1-9(2)15-7-5-12(6-8-15)16-10(3)13-14-11(16)4/h9,12H,5-8H2,1-4H3
InChIKeyCEBJBLSUWPNILU-UHFFFAOYSA-N
XLogP1.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine (CID 59903777) is 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine is Cc1nnc(C)n1C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
The InChIKey is CEBJBLSUWPNILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)15-7-5-12(6-8-15)16-10(3)13-14-11(16)4/h9,12H,5-8H2,1-4H3.
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine has a molecular weight of 222.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 59903777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).