1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

C13H24N4 — CID 82881755

IUPAC1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccn(C)n1)C1CCCN(C)C1
InChIInChI=1S/C13H24N4/c1-11(12-5-4-7-16(2)10-12)14-9-13-6-8-17(3)15-13/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyNYKDBWYMNHFBGD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.24
Rot. Bonds4

About 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 82881755) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID82881755
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccn(C)n1)C1CCCN(C)C1
InChIInChI=1S/C13H24N4/c1-11(12-5-4-7-16(2)10-12)14-9-13-6-8-17(3)15-13/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyNYKDBWYMNHFBGD-UHFFFAOYSA-N
XLogP1.24
TPSA33.09 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 62323527
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43307908
1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 78921262
N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline
CID 43308440
N-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308668
1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913507
1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55172444
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 61215311

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (CID 82881755) is 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is CC(NCc1ccn(C)n1)C1CCCN(C)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is NYKDBWYMNHFBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(12-5-4-7-16(2)10-12)14-9-13-6-8-17(3)15-13/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 82881755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).