N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine

C15H20F4N2 — CID 107303774

IUPACN-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
SMILESCCCN(c1ccc(C(F)(F)F)cc1F)C1CCCNC1
InChIInChI=1S/C15H20F4N2/c1-2-8-21(12-4-3-7-20-10-12)14-6-5-11(9-13(14)16)15(17,18)19/h5-6,9,12,20H,2-4,7-8,10H2,1H3
InChIKeyJWKDXUKMLDVFRC-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.81
Rot. Bonds4

About N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine

N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine (PubChem CID 107303774) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
PubChem CID107303774
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
SMILESCCCN(c1ccc(C(F)(F)F)cc1F)C1CCCNC1
InChIInChI=1S/C15H20F4N2/c1-2-8-21(12-4-3-7-20-10-12)14-6-5-11(9-13(14)16)15(17,18)19/h5-6,9,12,20H,2-4,7-8,10H2,1H3
InChIKeyJWKDXUKMLDVFRC-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 103594171
N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine
CID 63637187
3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide
CID 63636499
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
N-ethyl-N-(2-fluorophenyl)azepan-3-amine
CID 113229556
N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 63636836
N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63636998
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
CID 63636485
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147
N'-[2-bromo-4-(trifluoromethyl)phenyl]-N'-cyclobutylethane-1,2-diamine
CID 102874661
3,6-dimethyl-N-piperidin-3-yl-N-propylpyrazin-2-amine
CID 63636338

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine (CID 107303774) is N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine is CCCN(c1ccc(C(F)(F)F)cc1F)C1CCCNC1.
What is the InChIKey of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine?
The InChIKey is JWKDXUKMLDVFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-2-8-21(12-4-3-7-20-10-12)14-6-5-11(9-13(14)16)15(17,18)19/h5-6,9,12,20H,2-4,7-8,10H2,1H3.
What are the key properties of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine?
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine has a molecular weight of 304.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 107303774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).