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

C23H36F3N3 — CID 45191785

IUPAC1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(N(C)CC2CCCN(CCc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C23H36F3N3/c1-3-28-14-10-22(11-15-28)27(2)17-20-7-5-12-29(18-20)13-9-19-6-4-8-21(16-19)23(24,25)26/h4,6,8,16,20,22H,3,5,7,9-15,17-18H2,1-2H3
InChIKeyBNLITCGMAHJJNO-UHFFFAOYSA-N
MW411.56 g/mol
LogP4.38
Rot. Bonds7

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

1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine (PubChem CID 45191785) has the molecular formula C23H36F3N3 and a molecular weight of 411.56 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine
PubChem CID45191785
Molecular FormulaC23H36F3N3
Molecular Weight411.56 g/mol
Exact Mass411.29
IUPAC Name1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(N(C)CC2CCCN(CCc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C23H36F3N3/c1-3-28-14-10-22(11-15-28)27(2)17-20-7-5-12-29(18-20)13-9-19-6-4-8-21(16-19)23(24,25)26/h4,6,8,16,20,22H,3,5,7,9-15,17-18H2,1-2H3
InChIKeyBNLITCGMAHJJNO-UHFFFAOYSA-N
XLogP4.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

1-Propyl-4-(3-trifluoromethyl-phenyl)-piperidine
CID 22397830
N,1-dimethyl-N-(2-phenylpropyl)-4-piperidinamine
CID 2845747
(S)-1-Propyl-3-(3-propyl-phenyl)-piperidine
CID 10060449
N-propyl-3-(m-trifluoromethylphenyl)-piperidine
CID 3053803
1-Prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 134366939
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 44358602
Diethyl-[2-(4-methyl-piperazin-1-yl)-2-(3-trifluoromethyl-phenyl)-ethyl]-amine
CID 44404566
2-[2-(3-Fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride
CID 56672198
2-[2-(4-Fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride
CID 56678908
Piperidine, 1-methyl-3-(3-(trifluoromethyl)phenyl)-, hydrochloride
CID 3049032
Piperidine, 1-(1-methylethyl)-3-(3-(trifluoromethyl)phenyl)-, hydrochloride
CID 3049034
Pyridine, 1,2,3,6-tetrahydro-1-(1-methylethyl)-5-(3-(trifluoromethyl)phenyl)-, hydrochloride
CID 3054984

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine (CID 45191785) is 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine is CCN1CCC(N(C)CC2CCCN(CCc3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine?
The InChIKey is BNLITCGMAHJJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F3N3/c1-3-28-14-10-22(11-15-28)27(2)17-20-7-5-12-29(18-20)13-9-19-6-4-8-21(16-19)23(24,25)26/h4,6,8,16,20,22H,3,5,7,9-15,17-18H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine?
1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine has a molecular weight of 411.56 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 45191785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).