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

C22H25F6N3O — CID 58633802

IUPACN-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine
SMILESC[C@@H](OC[C@@]1(C)CC[C@H](Nc2ccccn2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H25F6N3O/c1-14(15-9-16(21(23,24)25)11-17(10-15)22(26,27)28)32-13-20(2)7-6-18(12-30-20)31-19-5-3-4-8-29-19/h3-5,8-11,14,18,30H,6-7,12-13H2,1-2H3,(H,29,31)/t14-,18+,20-/m1/s1
InChIKeyPGDQGVHQYWEFJK-HEFCMCLBSA-N
MW461.45 g/mol
LogP5.82
Rot. Bonds6

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

N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine (PubChem CID 58633802) has the molecular formula C22H25F6N3O and a molecular weight of 461.45 g/mol. Its IUPAC name is N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine
PubChem CID58633802
Molecular FormulaC22H25F6N3O
Molecular Weight461.45 g/mol
Exact Mass461.19
IUPAC NameN-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine
SMILESC[C@@H](OC[C@@]1(C)CC[C@H](Nc2ccccn2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H25F6N3O/c1-14(15-9-16(21(23,24)25)11-17(10-15)22(26,27)28)32-13-20(2)7-6-18(12-30-20)31-19-5-3-4-8-29-19/h3-5,8-11,14,18,30H,6-7,12-13H2,1-2H3,(H,29,31)/t14-,18+,20-/m1/s1
InChIKeyPGDQGVHQYWEFJK-HEFCMCLBSA-N
XLogP5.82
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.45
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-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

(S)-7-(2,5-difluorobenzyloxy)-2-((R)-2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 11949706
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)pyrimidin-2-amine
CID 52945787
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
(S)-5-((2-phenylmorpholino)methyl)-N-p-tolylpyridin-2-amine
CID 24955527
5-[(2S,5S)-5-methylmorpholin-2-yl]pyridin-2-amine
CID 130816094
5-chloro-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-2-amine
CID 68325393
5-bromo-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-2-amine
CID 68325441
5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 68325622
5-chloro-N-(2-fluoro-4-morpholin-2-ylphenyl)pyridin-2-amine
CID 68325682
5-[(2R,5S)-5-methylmorpholin-2-yl]pyridin-2-amine
CID 11672839

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine (CID 58633802) is N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine is C[C@@H](OC[C@@]1(C)CC[C@H](Nc2ccccn2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine?
The InChIKey is PGDQGVHQYWEFJK-HEFCMCLBSA-N. The full InChI is InChI=1S/C22H25F6N3O/c1-14(15-9-16(21(23,24)25)11-17(10-15)22(26,27)28)32-13-20(2)7-6-18(12-30-20)31-19-5-3-4-8-29-19/h3-5,8-11,14,18,30H,6-7,12-13H2,1-2H3,(H,29,31)/t14-,18+,20-/m1/s1.
What are the key properties of N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine?
N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine has a molecular weight of 461.45 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 58633802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).