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

C12H22N4 — CID 176693214

IUPAC1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCCN1CCC(c2ncn(C(C)C)n2)CC1
InChIInChI=1S/C12H22N4/c1-4-15-7-5-11(6-8-15)12-13-9-16(14-12)10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyOLOVFQWSXQWDJA-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.06
Rot. Bonds3

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

1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 176693214) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID176693214
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCCN1CCC(c2ncn(C(C)C)n2)CC1
InChIInChI=1S/C12H22N4/c1-4-15-7-5-11(6-8-15)12-13-9-16(14-12)10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyOLOVFQWSXQWDJA-UHFFFAOYSA-N
XLogP2.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 176693214) is 1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CCN1CCC(c2ncn(C(C)C)n2)CC1.
What is the InChIKey of 1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is OLOVFQWSXQWDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-15-7-5-11(6-8-15)12-13-9-16(14-12)10(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 222.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 176693214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).