(3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine

C16H21ClF4N2 — CID 162509682

IUPAC(3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
SMILESCC1CC(C(N)c2ccc(F)c(Cl)c2)CC(C)N1CC(F)(F)F
InChIInChI=1S/C16H21ClF4N2/c1-9-5-12(6-10(2)23(9)8-16(19,20)21)15(22)11-3-4-14(18)13(17)7-11/h3-4,7,9-10,12,15H,5-6,8,22H2,1-2H3
InChIKeyYFOMKJXDPZKMKZ-UHFFFAOYSA-N
MW352.80 g/mol
LogP4.53
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine

(3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine (PubChem CID 162509682) has the molecular formula C16H21ClF4N2 and a molecular weight of 352.80 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
PubChem CID162509682
Molecular FormulaC16H21ClF4N2
Molecular Weight352.80 g/mol
Exact Mass352.13
IUPAC Name(3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
SMILESCC1CC(C(N)c2ccc(F)c(Cl)c2)CC(C)N1CC(F)(F)F
InChIInChI=1S/C16H21ClF4N2/c1-9-5-12(6-10(2)23(9)8-16(19,20)21)15(22)11-3-4-14(18)13(17)7-11/h3-4,7,9-10,12,15H,5-6,8,22H2,1-2H3
InChIKeyYFOMKJXDPZKMKZ-UHFFFAOYSA-N
XLogP4.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
(S)-(3-chlorophenyl)-[(2S)-1-[1-(3,5-difluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 10193971
(S)-(3-chlorophenyl)-[(2S)-1-[1-(3-fluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 44337249
1-(2-(2-Chlorophenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414690
1-(2-(2-Chlorophenyl)-1-(4-fluorophenyl)ethyl)piperazine
CID 44414692
1-(2-(2-Chlorophenyl)-1-(2-fluorophenyl)ethyl)piperazine
CID 44414762
N-(3-chlorobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 5112934
(RR/SS)-2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine
CID 11499958
(R)-(3-chlorophenyl)-[(2S)-1-[1-(3,5-difluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 44337212
(R)-(3-chlorophenyl)-[(2S)-1-[1-(3-fluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 44337229
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 44455797
2-[4-[[1-(3-Chloro-4-fluorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53607141

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine (CID 162509682) is (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine is CC1CC(C(N)c2ccc(F)c(Cl)c2)CC(C)N1CC(F)(F)F.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
The InChIKey is YFOMKJXDPZKMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF4N2/c1-9-5-12(6-10(2)23(9)8-16(19,20)21)15(22)11-3-4-14(18)13(17)7-11/h3-4,7,9-10,12,15H,5-6,8,22H2,1-2H3.
What are the key properties of (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
(3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine has a molecular weight of 352.80 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 162509682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).