N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine

C18H27F3N2 — CID 123501625

IUPACN-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
SMILESCCc1cc(C(F)(F)F)cc(N(CC)C2CCN(C)CC2)c1C
InChIInChI=1S/C18H27F3N2/c1-5-14-11-15(18(19,20)21)12-17(13(14)3)23(6-2)16-7-9-22(4)10-8-16/h11-12,16H,5-10H2,1-4H3
InChIKeyDBECFZQRIPJFNU-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.50
Rot. Bonds4

About N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine

N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine (PubChem CID 123501625) has the molecular formula C18H27F3N2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
PubChem CID123501625
Molecular FormulaC18H27F3N2
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC NameN-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
SMILESCCc1cc(C(F)(F)F)cc(N(CC)C2CCN(C)CC2)c1C
InChIInChI=1S/C18H27F3N2/c1-5-14-11-15(18(19,20)21)12-17(13(14)3)23(6-2)16-7-9-22(4)10-8-16/h11-12,16H,5-10H2,1-4H3
InChIKeyDBECFZQRIPJFNU-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cambridge id 5427910
CID 783207
1-(2,3-Dimethylphenyl)-4-(2-methyl-2-buten-1-yl)piperazine
CID 783329
1-(3,5-Bis(trifluoromethyl)phenyl)-3-butylpiperidin-4-amine
CID 11538686
1-(Biphenyl-2-ylmethyl)-4-(2,5-dimethylphenyl)piperazine
CID 71602643
1-(2-Methylbiphenyl-3-yl)-4-(pyrrolidin-1-yl)piperidine
CID 132166371
Cambridge id 5411496
CID 782012
Cambridge id 5419688
CID 782319
1-(2,3-Dimethylphenyl)-4-(4-fluorobenzyl)piperazine
CID 785779
1-(2,3-Dimethylphenyl)-4-(2-fluorobenzyl)piperazine
CID 785837
1-(2,3-Dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine
CID 792667
N-[(2,3,4,5,6-pentamethylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline
CID 2803783
1-[3-(2,6-Dimethylphenyl)phenyl]-4-methylpiperazine
CID 46232082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine (CID 123501625) is N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine is CCc1cc(C(F)(F)F)cc(N(CC)C2CCN(C)CC2)c1C.
What is the InChIKey of N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The InChIKey is DBECFZQRIPJFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2/c1-5-14-11-15(18(19,20)21)12-17(13(14)3)23(6-2)16-7-9-22(4)10-8-16/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 123501625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).