Skip to content

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

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.