N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C17H32N4 — CID 63071699

IUPACN-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(C)c(N2CCCC(C)C2C)c1CNC(C)(C)C
InChIInChI=1S/C17H32N4/c1-12-9-8-10-21(14(12)3)16-15(11-18-17(4,5)6)13(2)19-20(16)7/h12,14,18H,8-11H2,1-7H3
InChIKeyZWVSGAJXTQIMIR-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.24
Rot. Bonds3

About N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63071699) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID63071699
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(C)c(N2CCCC(C)C2C)c1CNC(C)(C)C
InChIInChI=1S/C17H32N4/c1-12-9-8-10-21(14(12)3)16-15(11-18-17(4,5)6)13(2)19-20(16)7/h12,14,18H,8-11H2,1-7H3
InChIKeyZWVSGAJXTQIMIR-UHFFFAOYSA-N
XLogP3.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 63071699) is N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1nn(C)c(N2CCCC(C)C2C)c1CNC(C)(C)C.
What is the InChIKey of N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZWVSGAJXTQIMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-12-9-8-10-21(14(12)3)16-15(11-18-17(4,5)6)13(2)19-20(16)7/h12,14,18H,8-11H2,1-7H3.
What are the key properties of N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63071699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).