N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine

C18H30FN3 — CID 84753188

IUPACN'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(CN2CC(C)CC(C)C2)ccc1F
InChIInChI=1S/C18H30FN3/c1-14-9-15(2)12-22(11-14)13-16-5-6-17(19)18(10-16)21(4)8-7-20-3/h5-6,10,14-15,20H,7-9,11-13H2,1-4H3
InChIKeyUUHRFIHCMNAADR-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.96
Rot. Bonds6

About N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine

N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 84753188) has the molecular formula C18H30FN3 and a molecular weight of 307.46 g/mol. Its IUPAC name is N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID84753188
Molecular FormulaC18H30FN3
Molecular Weight307.46 g/mol
Exact Mass307.24
IUPAC NameN'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(CN2CC(C)CC(C)C2)ccc1F
InChIInChI=1S/C18H30FN3/c1-14-9-15(2)12-22(11-14)13-16-5-6-17(19)18(10-16)21(4)8-7-20-3/h5-6,10,14-15,20H,7-9,11-13H2,1-4H3
InChIKeyUUHRFIHCMNAADR-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine (CID 84753188) is N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1cc(CN2CC(C)CC(C)C2)ccc1F.
What is the InChIKey of N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is UUHRFIHCMNAADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3/c1-14-9-15(2)12-22(11-14)13-16-5-6-17(19)18(10-16)21(4)8-7-20-3/h5-6,10,14-15,20H,7-9,11-13H2,1-4H3.
What are the key properties of N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 307.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 84753188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).