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

C32H33F3N4O — CID 58238963

IUPACN-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESCc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](N(c3ccccn3)c3ccccn3)CN2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H33F3N4O/c1-23-18-25(20-27(19-23)32(33,34)35)24(2)40-22-31(26-10-4-3-5-11-26)15-14-28(21-38-31)39(29-12-6-8-16-36-29)30-13-7-9-17-37-30/h3-13,16-20,24,28,38H,14-15,21-22H2,1-2H3/t24-,28+,31-/m1/s1
InChIKeyOWQNOAIVLZRLCA-YIHZDXAJSA-N
MW546.64 g/mol
LogP7.37
Rot. Bonds8

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

N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 58238963) has the molecular formula C32H33F3N4O and a molecular weight of 546.64 g/mol. Its IUPAC name is N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID58238963
Molecular FormulaC32H33F3N4O
Molecular Weight546.64 g/mol
Exact Mass546.26
IUPAC NameN-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESCc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](N(c3ccccn3)c3ccccn3)CN2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H33F3N4O/c1-23-18-25(20-27(19-23)32(33,34)35)24(2)40-22-31(26-10-4-3-5-11-26)15-14-28(21-38-31)39(29-12-6-8-16-36-29)30-13-7-9-17-37-30/h3-13,16-20,24,28,38H,14-15,21-22H2,1-2H3/t24-,28+,31-/m1/s1
InChIKeyOWQNOAIVLZRLCA-YIHZDXAJSA-N
XLogP7.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.64
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-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-(((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
5-[2-Morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507503
N-[4-[(2S)-morpholin-2-yl]phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 68325398
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 68325509
N-[4-[(2S)-morpholin-2-yl]phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 68325571
US9840501, Example 49
CID 118484363
US9840501, Example 29
CID 118484411
US9840501, Example 23
CID 118484431
US9840501, Example 28
CID 118485025

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine (CID 58238963) is N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine is Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](N(c3ccccn3)c3ccccn3)CN2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is OWQNOAIVLZRLCA-YIHZDXAJSA-N. The full InChI is InChI=1S/C32H33F3N4O/c1-23-18-25(20-27(19-23)32(33,34)35)24(2)40-22-31(26-10-4-3-5-11-26)15-14-28(21-38-31)39(29-12-6-8-16-36-29)30-13-7-9-17-37-30/h3-13,16-20,24,28,38H,14-15,21-22H2,1-2H3/t24-,28+,31-/m1/s1.
What are the key properties of N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine?
N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 546.64 g/mol, XLogP of 7.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 58238963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).