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

C14H26N4 — CID 106758148

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCCC1CCN(C)CC1)c1ccnn1C
InChIInChI=1S/C14H26N4/c1-12(14-5-9-16-18(14)3)15-8-4-13-6-10-17(2)11-7-13/h5,9,12-13,15H,4,6-8,10-11H2,1-3H3
InChIKeyWROVXBAADZTPLK-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.80
Rot. Bonds5

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

N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 106758148) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID106758148
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCCC1CCN(C)CC1)c1ccnn1C
InChIInChI=1S/C14H26N4/c1-12(14-5-9-16-18(14)3)15-8-4-13-6-10-17(2)11-7-13/h5,9,12-13,15H,4,6-8,10-11H2,1-3H3
InChIKeyWROVXBAADZTPLK-UHFFFAOYSA-N
XLogP1.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757829
3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756945
1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717489
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756979
2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103002255
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093870
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine (CID 106758148) is N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine is CC(NCCC1CCN(C)CC1)c1ccnn1C.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is WROVXBAADZTPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(14-5-9-16-18(14)3)15-8-4-13-6-10-17(2)11-7-13/h5,9,12-13,15H,4,6-8,10-11H2,1-3H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106758148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).