2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

C16H30N4 — CID 114592634

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCCc1nn(C)cc1C(CN)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H30N4/c1-6-15-14(10-19(5)18-15)16(8-17)20-9-11(2)7-12(3)13(20)4/h10-13,16H,6-9,17H2,1-5H3
InChIKeyVDOWNSQQJUMNSQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.35
Rot. Bonds4

About 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (PubChem CID 114592634) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
PubChem CID114592634
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCCc1nn(C)cc1C(CN)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H30N4/c1-6-15-14(10-19(5)18-15)16(8-17)20-9-11(2)7-12(3)13(20)4/h10-13,16H,6-9,17H2,1-5H3
InChIKeyVDOWNSQQJUMNSQ-UHFFFAOYSA-N
XLogP2.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (CID 114592634) is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is CCc1nn(C)cc1C(CN)N1CC(C)CC(C)C1C.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The InChIKey is VDOWNSQQJUMNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-15-14(10-19(5)18-15)16(8-17)20-9-11(2)7-12(3)13(20)4/h10-13,16H,6-9,17H2,1-5H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine has a molecular weight of 278.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 114592634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).