3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine

C16H22ClF3N2 — CID 167488057

IUPAC3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1(CCc2cc(Cl)cc(C(F)(F)F)c2)CCCNC1
InChIInChI=1S/C16H22ClF3N2/c1-22(2)15(5-3-7-21-11-15)6-4-12-8-13(16(18,19)20)10-14(17)9-12/h8-10,21H,3-7,11H2,1-2H3
InChIKeyGXLGNRBNUNCOHO-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.98
Rot. Bonds4

About 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine

3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 167488057) has the molecular formula C16H22ClF3N2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
PubChem CID167488057
Molecular FormulaC16H22ClF3N2
Molecular Weight334.81 g/mol
Exact Mass334.14
IUPAC Name3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1(CCc2cc(Cl)cc(C(F)(F)F)c2)CCCNC1
InChIInChI=1S/C16H22ClF3N2/c1-22(2)15(5-3-7-21-11-15)6-4-12-8-13(16(18,19)20)10-14(17)9-12/h8-10,21H,3-7,11H2,1-2H3
InChIKeyGXLGNRBNUNCOHO-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-tert-butyl-3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
CID 171771109
2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908041
(2S)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 120839203
(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride
CID 120839392
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
1-chloro-3-ethyl-5-(trifluoromethyl)benzene;N,N-dimethylpiperidin-1-id-3-amine;vanadium
CID 167488419
(3S)-3-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-1-ium-3-amine
CID 167488189
(3R)-1-tert-butyl-3-[2-[3-[2-[(3S)-3-(dimethylamino)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]-2-methylpropyl]-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
CID 175628417
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
4-[3-chloro-5-(trifluoromethyl)phenyl]butanoic acid
CID 117108467
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform
CID 156612938
[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 117112227

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine (CID 167488057) is 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1(CCc2cc(Cl)cc(C(F)(F)F)c2)CCCNC1.
What is the InChIKey of 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is GXLGNRBNUNCOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF3N2/c1-22(2)15(5-3-7-21-11-15)6-4-12-8-13(16(18,19)20)10-14(17)9-12/h8-10,21H,3-7,11H2,1-2H3.
What are the key properties of 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine?
3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 334.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 167488057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).