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

C12H22N4 — CID 118230663

IUPAC1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
SMILESCc1nncn1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H22N4/c1-10-14-13-9-16(10)11-5-7-15(8-6-11)12(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyZIXYVCOBSDNDQX-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.02
Rot. Bonds1

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

1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 118230663) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
PubChem CID118230663
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
SMILESCc1nncn1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H22N4/c1-10-14-13-9-16(10)11-5-7-15(8-6-11)12(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyZIXYVCOBSDNDQX-UHFFFAOYSA-N
XLogP2.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine (CID 118230663) is 1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine is Cc1nncn1C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is ZIXYVCOBSDNDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-14-13-9-16(10)11-5-7-15(8-6-11)12(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine?
1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 222.34 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 118230663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).