N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine

C27H30F3N3O — CID 71233590

IUPACN-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
SMILESCc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(Nc3ccccn3)CN2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H30F3N3O/c1-19-14-21(16-23(15-19)27(28,29)30)20(2)34-18-26(22-8-4-3-5-9-22)12-11-24(17-32-26)33-25-10-6-7-13-31-25/h3-10,13-16,20,24,32H,11-12,17-18H2,1-2H3,(H,31,33)/t20-,24?,26-/m1/s1
InChIKeyOKTOEIZYCNLUAP-UICRHRNSSA-N
MW469.55 g/mol
LogP6.25
Rot. Bonds7

About N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine

N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine (PubChem CID 71233590) has the molecular formula C27H30F3N3O and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
PubChem CID71233590
Molecular FormulaC27H30F3N3O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC NameN-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
SMILESCc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(Nc3ccccn3)CN2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H30F3N3O/c1-19-14-21(16-23(15-19)27(28,29)30)20(2)34-18-26(22-8-4-3-5-9-22)12-11-24(17-32-26)33-25-10-6-7-13-31-25/h3-10,13-16,20,24,32H,11-12,17-18H2,1-2H3,(H,31,33)/t20-,24?,26-/m1/s1
InChIKeyOKTOEIZYCNLUAP-UICRHRNSSA-N
XLogP6.25
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-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

N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
CID 58238894
N-[(6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
CID 88969535
N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyrimidin-2-amine
CID 52945787
2-chloro-N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide
CID 58238855
N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 58633888
N-[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 23574943
3-[(3S,6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidin-3-yl]-1,1-dimethylurea
CID 88947957
2-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-methylacetamide
CID 58238928
N-[(3S,6S)-6-[[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4,5-dihydro-1,3-oxazol-2-amine
CID 58633863
N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyrrolidine-1-carboxamide
CID 58633736
2-ethyl-1-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4H-imidazol-5-one
CID 159085935
ethyl 6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxylate
CID 58701910

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine (CID 71233590) is N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine is Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CCC(Nc3ccccn3)CN2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine?
The InChIKey is OKTOEIZYCNLUAP-UICRHRNSSA-N. The full InChI is InChI=1S/C27H30F3N3O/c1-19-14-21(16-23(15-19)27(28,29)30)20(2)34-18-26(22-8-4-3-5-9-22)12-11-24(17-32-26)33-25-10-6-7-13-31-25/h3-10,13-16,20,24,32H,11-12,17-18H2,1-2H3,(H,31,33)/t20-,24?,26-/m1/s1.
What are the key properties of N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine?
N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine has a molecular weight of 469.55 g/mol, XLogP of 6.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 71233590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).