2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine

C16H30N4 — CID 79408053

IUPAC2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cnn(C(C)C)c2)C(C)C1C
InChIInChI=1S/C16H30N4/c1-6-8-17-16-7-9-19(14(5)13(16)4)15-10-18-20(11-15)12(2)3/h10-14,16-17H,6-9H2,1-5H3
InChIKeyHCIJLMATXGSQML-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.07
Rot. Bonds5

About 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine

2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine (PubChem CID 79408053) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine
PubChem CID79408053
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cnn(C(C)C)c2)C(C)C1C
InChIInChI=1S/C16H30N4/c1-6-8-17-16-7-9-19(14(5)13(16)4)15-10-18-20(11-15)12(2)3/h10-14,16-17H,6-9H2,1-5H3
InChIKeyHCIJLMATXGSQML-UHFFFAOYSA-N
XLogP3.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine
CID 107588860
2-methyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine
CID 62904080
2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 79397861
1-(4-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396906
2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine
CID 79398604
2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine
CID 79779697
1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397422
1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397876
1-(2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397280
1-(4-bromo-3-methoxyphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 82858848
2,3-dimethyl-1-(2-methyl-3-pyridinyl)-N-propylpiperidin-4-amine
CID 79407464
1-(2,4-dichlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397728

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine (CID 79408053) is 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2cnn(C(C)C)c2)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine?
The InChIKey is HCIJLMATXGSQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-8-17-16-7-9-19(14(5)13(16)4)15-10-18-20(11-15)12(2)3/h10-14,16-17H,6-9H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine?
2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine has a molecular weight of 278.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 79408053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).