2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

C13H24N4 — CID 114515462

IUPAC2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCN1CCC(CCNCCn2cccn2)CC1
InChIInChI=1S/C13H24N4/c1-16-10-4-13(5-11-16)3-7-14-8-12-17-9-2-6-15-17/h2,6,9,13-14H,3-5,7-8,10-12H2,1H3
InChIKeyFSHYLBIYACUIHO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.20
Rot. Bonds6

About 2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 114515462) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID114515462
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCN1CCC(CCNCCn2cccn2)CC1
InChIInChI=1S/C13H24N4/c1-16-10-4-13(5-11-16)3-7-14-8-12-17-9-2-6-15-17/h2,6,9,13-14H,3-5,7-8,10-12H2,1H3
InChIKeyFSHYLBIYACUIHO-UHFFFAOYSA-N
XLogP1.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.20
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

N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
1-ethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851523
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103002255
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905598
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 114515462) is 2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine is CN1CCC(CCNCCn2cccn2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is FSHYLBIYACUIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16-10-4-13(5-11-16)3-7-14-8-12-17-9-2-6-15-17/h2,6,9,13-14H,3-5,7-8,10-12H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.20, 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-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 114515462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).