(2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine

C20H25F3N2O2 — CID 70956294

IUPAC(2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
SMILESCOc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1C1C=CC=CC1
InChIInChI=1S/C20H25F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6,9-10,12,14,17,19,24-25H,5,7-8,11,13H2,1H3/t14?,17-,19-/m0/s1
InChIKeyGLLBGPLJCFICHT-WGAGKFISSA-N
MW382.43 g/mol
LogP3.94
Rot. Bonds6

About (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine

(2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine (PubChem CID 70956294) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
PubChem CID70956294
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name(2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
SMILESCOc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1C1C=CC=CC1
InChIInChI=1S/C20H25F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6,9-10,12,14,17,19,24-25H,5,7-8,11,13H2,1H3/t14?,17-,19-/m0/s1
InChIKeyGLLBGPLJCFICHT-WGAGKFISSA-N
XLogP3.94
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 15228060
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67677445
benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 142835645
(2S,3S)-2-phenyl-N-[[2-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 10272852
(2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 70019616
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 57292442
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 86758791
2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 19012952
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
(2S,3S)-N-[[2-methoxy-5-(1,1,1-trifluoro-2-methoxypropan-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44578056
4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-3-phenylpiperidine-1-carboxamide;hydrochloride
CID 69056582

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The IUPAC name of (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine (CID 70956294) is (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine is COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1C1C=CC=CC1.
What is the InChIKey of (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The InChIKey is GLLBGPLJCFICHT-WGAGKFISSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6,9-10,12,14,17,19,24-25H,5,7-8,11,13H2,1H3/t14?,17-,19-/m0/s1.
What are the key properties of (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
(2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine has a molecular weight of 382.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 70956294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).