N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine

C17H23ClF4N2 — CID 58624399

IUPACN-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(Cc1c(C(F)(F)F)ccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C17H23ClF4N2/c1-11(2)9-24(12-5-7-23-8-6-12)10-13-14(17(20,21)22)3-4-15(18)16(13)19/h3-4,11-12,23H,5-10H2,1-2H3
InChIKeyUTPGRUGIJDQHHG-UHFFFAOYSA-N
MW366.83 g/mol
LogP4.71
Rot. Bonds5

About N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine

N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 58624399) has the molecular formula C17H23ClF4N2 and a molecular weight of 366.83 g/mol. Its IUPAC name is N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID58624399
Molecular FormulaC17H23ClF4N2
Molecular Weight366.83 g/mol
Exact Mass366.15
IUPAC NameN-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(Cc1c(C(F)(F)F)ccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C17H23ClF4N2/c1-11(2)9-24(12-5-7-23-8-6-12)10-13-14(17(20,21)22)3-4-15(18)16(13)19/h3-4,11-12,23H,5-10H2,1-2H3
InChIKeyUTPGRUGIJDQHHG-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[[2-methylpropyl-[(3S)-piperidin-3-yl]amino]methyl]benzonitrile
CID 24936091
7-Chloro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 44405404
(R)-7-chloro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 44405405
4-chloro-2-[[2-methylpropyl-[(3R)-piperidin-3-yl]amino]methyl]benzonitrile
CID 44455597
4-Chloro-2-[[2-methylpropyl(piperidin-3-yl)amino]methyl]benzonitrile
CID 44455628
4-Chloro-2-[[methyl(piperidin-3-yl)amino]methyl]benzonitrile
CID 44455631
4-Chloro-2-[[2-methylpropyl(piperidin-4-yl)amino]methyl]benzonitrile
CID 44455662
4-Chloro-2-[[cyclopropylmethyl(piperidin-4-yl)amino]methyl]benzonitrile
CID 44455663
4-Chloro-2-[[piperidin-4-yl(propan-2-yl)amino]methyl]benzonitrile
CID 44455685
2-[[Butyl(piperidin-4-yl)amino]methyl]-4-chlorobenzonitrile
CID 44455717
4-Chloro-2-[[ethyl(piperidin-4-yl)amino]methyl]benzonitrile
CID 44455719
4-Chloro-2-[[piperidin-4-yl(propyl)amino]methyl]benzonitrile
CID 44455720

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine (CID 58624399) is N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine is CC(C)CN(Cc1c(C(F)(F)F)ccc(Cl)c1F)C1CCNCC1.
What is the InChIKey of N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is UTPGRUGIJDQHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF4N2/c1-11(2)9-24(12-5-7-23-8-6-12)10-13-14(17(20,21)22)3-4-15(18)16(13)19/h3-4,11-12,23H,5-10H2,1-2H3.
What are the key properties of N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 366.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 58624399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).