1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine

C13H25N5 — CID 71861037

IUPAC1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine
SMILESCCN1CCC(N(C)CCn2cncn2)C(C)C1
InChIInChI=1S/C13H25N5/c1-4-17-6-5-13(12(2)9-17)16(3)7-8-18-11-14-10-15-18/h10-13H,4-9H2,1-3H3
InChIKeyVINIXQAKHNTVQY-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.94
Rot. Bonds5

About 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine

1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine (PubChem CID 71861037) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine
PubChem CID71861037
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine
SMILESCCN1CCC(N(C)CCn2cncn2)C(C)C1
InChIInChI=1S/C13H25N5/c1-4-17-6-5-13(12(2)9-17)16(3)7-8-18-11-14-10-15-18/h10-13H,4-9H2,1-3H3
InChIKeyVINIXQAKHNTVQY-UHFFFAOYSA-N
XLogP0.94
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine (CID 71861037) is 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine is CCN1CCC(N(C)CCn2cncn2)C(C)C1.
What is the InChIKey of 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine?
The InChIKey is VINIXQAKHNTVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-17-6-5-13(12(2)9-17)16(3)7-8-18-11-14-10-15-18/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine?
1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 71861037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).