2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine

C14H26N4 — CID 103002255

IUPAC2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCN1CCC(CCNCCc2ccnn2C)CC1
InChIInChI=1S/C14H26N4/c1-17-11-6-13(7-12-17)3-8-15-9-4-14-5-10-16-18(14)2/h5,10,13,15H,3-4,6-9,11-12H2,1-2H3
InChIKeyXFOWBGYOLQLYOL-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.28
Rot. Bonds6

About 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine

2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 103002255) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID103002255
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCN1CCC(CCNCCc2ccnn2C)CC1
InChIInChI=1S/C14H26N4/c1-17-11-6-13(7-12-17)3-8-15-9-4-14-5-10-16-18(14)2/h5,10,13,15H,3-4,6-9,11-12H2,1-2H3
InChIKeyXFOWBGYOLQLYOL-UHFFFAOYSA-N
XLogP1.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-amine
CID 103001943
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
N-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103001171
1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone
CID 103006184
2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 114515462
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine (CID 103002255) is 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine is CN1CCC(CCNCCc2ccnn2C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is XFOWBGYOLQLYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-17-11-6-13(7-12-17)3-8-15-9-4-14-5-10-16-18(14)2/h5,10,13,15H,3-4,6-9,11-12H2,1-2H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 103002255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).