2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine

C13H24N4 — CID 115291197

IUPAC2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCC1CCN(CC(N)c2cnn(C)c2)CC1
InChIInChI=1S/C13H24N4/c1-3-11-4-6-17(7-5-11)10-13(14)12-8-15-16(2)9-12/h8-9,11,13H,3-7,10,14H2,1-2H3
InChIKeyICLHFCFKLGNDOK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.54
Rot. Bonds4

About 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine

2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115291197) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115291197
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCC1CCN(CC(N)c2cnn(C)c2)CC1
InChIInChI=1S/C13H24N4/c1-3-11-4-6-17(7-5-11)10-13(14)12-8-15-16(2)9-12/h8-9,11,13H,3-7,10,14H2,1-2H3
InChIKeyICLHFCFKLGNDOK-UHFFFAOYSA-N
XLogP1.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280007
1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
CID 115291117
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280017
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291229
2-(4-ethylpiperidin-1-yl)-1-(4-propylphenyl)ethanamine
CID 61421149
2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291360
1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113280074
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
2-(2,2-dimethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291150
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine (CID 115291197) is 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine is CCC1CCN(CC(N)c2cnn(C)c2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is ICLHFCFKLGNDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-11-4-6-17(7-5-11)10-13(14)12-8-15-16(2)9-12/h8-9,11,13H,3-7,10,14H2,1-2H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115291197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).