N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine

C16H26FN3 — CID 107520485

IUPACN'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCCN1CCC(N(C)CC(N)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3/c1-3-20-10-8-15(9-11-20)19(2)12-16(18)13-4-6-14(17)7-5-13/h4-7,15-16H,3,8-12,18H2,1-2H3
InChIKeyZFYVGFLGJGUQTA-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.24
Rot. Bonds5

About N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine

N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 107520485) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID107520485
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCCN1CCC(N(C)CC(N)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3/c1-3-20-10-8-15(9-11-20)19(2)12-16(18)13-4-6-14(17)7-5-13/h4-7,15-16H,3,8-12,18H2,1-2H3
InChIKeyZFYVGFLGJGUQTA-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 107520231
1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437159
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 107521653

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine (CID 107520485) is N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine is CCN1CCC(N(C)CC(N)c2ccc(F)cc2)CC1.
What is the InChIKey of N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is ZFYVGFLGJGUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-20-10-8-15(9-11-20)19(2)12-16(18)13-4-6-14(17)7-5-13/h4-7,15-16H,3,8-12,18H2,1-2H3.
What are the key properties of N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 279.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107520485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).