N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine

C16H23F4N3 — CID 143375714

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine
SMILESCNCCN1CCC(NCc2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H23F4N3/c1-21-6-9-23-7-4-13(5-8-23)22-11-12-2-3-14(15(17)10-12)16(18,19)20/h2-3,10,13,21-22H,4-9,11H2,1H3
InChIKeyKIAOZPJJGLGQJN-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.62
Rot. Bonds6

About N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine

N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine (PubChem CID 143375714) has the molecular formula C16H23F4N3 and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine
PubChem CID143375714
Molecular FormulaC16H23F4N3
Molecular Weight333.37 g/mol
Exact Mass333.18
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine
SMILESCNCCN1CCC(NCc2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H23F4N3/c1-21-6-9-23-7-4-13(5-8-23)22-11-12-2-3-14(15(17)10-12)16(18,19)20/h2-3,10,13,21-22H,4-9,11H2,1H3
InChIKeyKIAOZPJJGLGQJN-UHFFFAOYSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142344458
N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
CID 81002478
2-fluoro-4-[[(1-propylpiperidin-4-yl)amino]methyl]benzoic acid
CID 106699931
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 103784727
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 75433071
(2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine
CID 71250303
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 43281201
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384991
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62538080

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine (CID 143375714) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine is CNCCN1CCC(NCc2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine?
The InChIKey is KIAOZPJJGLGQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4N3/c1-21-6-9-23-7-4-13(5-8-23)22-11-12-2-3-14(15(17)10-12)16(18,19)20/h2-3,10,13,21-22H,4-9,11H2,1H3.
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine?
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine has a molecular weight of 333.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine is sourced from PubChem (CID 143375714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).