N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride

C13H24Cl2F2N4 — CID 119933016

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride
SMILESCCCN(Cc1nccn1C(F)F)C1CCNCC1.Cl.Cl
InChIInChI=1S/C13H22F2N4.2ClH/c1-2-8-18(11-3-5-16-6-4-11)10-12-17-7-9-19(12)13(14)15;;/h7,9,11,13,16H,2-6,8,10H2,1H3;2*1H
InChIKeyWAHTZBYVGNDYDV-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.09
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride (PubChem CID 119933016) has the molecular formula C13H24Cl2F2N4 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride
PubChem CID119933016
Molecular FormulaC13H24Cl2F2N4
Molecular Weight345.27 g/mol
Exact Mass344.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride
SMILESCCCN(Cc1nccn1C(F)F)C1CCNCC1.Cl.Cl
InChIInChI=1S/C13H22F2N4.2ClH/c1-2-8-18(11-3-5-16-6-4-11)10-12-17-7-9-19(12)13(14)15;;/h7,9,11,13,16H,2-6,8,10H2,1H3;2*1H
InChIKeyWAHTZBYVGNDYDV-UHFFFAOYSA-N
XLogP3.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride 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 N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride (CID 119933016) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride is CCCN(Cc1nccn1C(F)F)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride?
The InChIKey is WAHTZBYVGNDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4.2ClH/c1-2-8-18(11-3-5-16-6-4-11)10-12-17-7-9-19(12)13(14)15;;/h7,9,11,13,16H,2-6,8,10H2,1H3;2*1H.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 119933016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).