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

C16H30N4 — CID 62124120

IUPACN-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(N2CCCC(C)C2C)c1CNC(C)C
InChIInChI=1S/C16H30N4/c1-11(2)17-10-15-13(4)18-19(6)16(15)20-9-7-8-12(3)14(20)5/h11-12,14,17H,7-10H2,1-6H3
InChIKeyXODXFTYIONIWKF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.85
Rot. Bonds4

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

N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 62124120) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID62124120
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(N2CCCC(C)C2C)c1CNC(C)C
InChIInChI=1S/C16H30N4/c1-11(2)17-10-15-13(4)18-19(6)16(15)20-9-7-8-12(3)14(20)5/h11-12,14,17H,7-10H2,1-6H3
InChIKeyXODXFTYIONIWKF-UHFFFAOYSA-N
XLogP2.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.85
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]propan-2-amine?
The IUPAC name of N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 62124120) is N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is Cc1nn(C)c(N2CCCC(C)C2C)c1CNC(C)C.
What is the InChIKey of N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is XODXFTYIONIWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-11(2)17-10-15-13(4)18-19(6)16(15)20-9-7-8-12(3)14(20)5/h11-12,14,17H,7-10H2,1-6H3.
What are the key properties of N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.85, 4 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]propan-2-amine is sourced from PubChem (CID 62124120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).