1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C13H24N4 — CID 176692979

IUPAC1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)N1CCC(c2ncn(C(C)C)n2)CC1
InChIInChI=1S/C13H24N4/c1-10(2)16-7-5-12(6-8-16)13-14-9-17(15-13)11(3)4/h9-12H,5-8H2,1-4H3
InChIKeyPXUVUIZVPBNMTC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.45
Rot. Bonds3

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

1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 176692979) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID176692979
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)N1CCC(c2ncn(C(C)C)n2)CC1
InChIInChI=1S/C13H24N4/c1-10(2)16-7-5-12(6-8-16)13-14-9-17(15-13)11(3)4/h9-12H,5-8H2,1-4H3
InChIKeyPXUVUIZVPBNMTC-UHFFFAOYSA-N
XLogP2.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 176692979) is 1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)N1CCC(c2ncn(C(C)C)n2)CC1.
What is the InChIKey of 1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is PXUVUIZVPBNMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)16-7-5-12(6-8-16)13-14-9-17(15-13)11(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 236.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 176692979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).