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

C14H26N4 — CID 79779697

IUPAC2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccn(C)n2)C(C)C1C
InChIInChI=1S/C14H26N4/c1-5-8-15-13-6-10-18(12(3)11(13)2)14-7-9-17(4)16-14/h7,9,11-13,15H,5-6,8,10H2,1-4H3
InChIKeyQXLNWLOBMLGLOQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.02
Rot. Bonds4

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

2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine (PubChem CID 79779697) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine
PubChem CID79779697
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccn(C)n2)C(C)C1C
InChIInChI=1S/C14H26N4/c1-5-8-15-13-6-10-18(12(3)11(13)2)14-7-9-17(4)16-14/h7,9,11-13,15H,5-6,8,10H2,1-4H3
InChIKeyQXLNWLOBMLGLOQ-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine (CID 79779697) is 2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2ccn(C)n2)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine?
The InChIKey is QXLNWLOBMLGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-8-15-13-6-10-18(12(3)11(13)2)14-7-9-17(4)16-14/h7,9,11-13,15H,5-6,8,10H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine?
2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.02, 4 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-methylpyrazol-3-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 79779697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).