1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine

C13H24N4 — CID 115311879

IUPAC1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine
SMILESCc1nn(C)cc1C(C)N1CCC(N)CC1C
InChIInChI=1S/C13H24N4/c1-9-7-12(14)5-6-17(9)11(3)13-8-16(4)15-10(13)2/h8-9,11-12H,5-7,14H2,1-4H3
InChIKeyUXFHIHYCKIMFHV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.60
Rot. Bonds2

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine (PubChem CID 115311879) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine
PubChem CID115311879
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine
SMILESCc1nn(C)cc1C(C)N1CCC(N)CC1C
InChIInChI=1S/C13H24N4/c1-9-7-12(14)5-6-17(9)11(3)13-8-16(4)15-10(13)2/h8-9,11-12H,5-7,14H2,1-4H3
InChIKeyUXFHIHYCKIMFHV-UHFFFAOYSA-N
XLogP1.60
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine
CID 113284244
1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975488
1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine
CID 82970842
3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119741055
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine
CID 115311841
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778774
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009856
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115716888
3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890681
[(1,3-dimethylpyrazol-4-yl)-(2-methylcyclopropyl)methyl]hydrazine
CID 131176833

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine (CID 115311879) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine is Cc1nn(C)cc1C(C)N1CCC(N)CC1C.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine?
The InChIKey is UXFHIHYCKIMFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9-7-12(14)5-6-17(9)11(3)13-8-16(4)15-10(13)2/h8-9,11-12H,5-7,14H2,1-4H3.
What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine?
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 115311879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).