1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine

C19H26N4O2 — CID 126776595

IUPAC1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cn[nH]c2-c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H26N4O2/c1-22(2)16-4-3-7-23(13-16)12-15-11-20-21-19(15)14-5-6-17-18(10-14)25-9-8-24-17/h5-6,10-11,16H,3-4,7-9,12-13H2,1-2H3,(H,20,21)
InChIKeyXHZJWNDTZKLTTB-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.37
Rot. Bonds4

About 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine

1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 126776595) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID126776595
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cn[nH]c2-c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H26N4O2/c1-22(2)16-4-3-7-23(13-16)12-15-11-20-21-19(15)14-5-6-17-18(10-14)25-9-8-24-17/h5-6,10-11,16H,3-4,7-9,12-13H2,1-2H3,(H,20,21)
InChIKeyXHZJWNDTZKLTTB-UHFFFAOYSA-N
XLogP2.37
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine (CID 126776595) is 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(Cc2cn[nH]c2-c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is XHZJWNDTZKLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(2)16-4-3-7-23(13-16)12-15-11-20-21-19(15)14-5-6-17-18(10-14)25-9-8-24-17/h5-6,10-11,16H,3-4,7-9,12-13H2,1-2H3,(H,20,21).
What are the key properties of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine?
1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 342.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 126776595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).