1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine

C26H28F3N3O3 — CID 118057436

IUPAC1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(OC)cc(-c2cncc(-c3ccc(C(F)(F)F)cc3OC)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H28F3N3O3/c1-33-19-10-16(11-20(13-19)34-2)22-14-31-15-23(25(22)32-8-6-18(30)7-9-32)21-5-4-17(26(27,28)29)12-24(21)35-3/h4-5,10-15,18H,6-9,30H2,1-3H3
InChIKeyYFXZVOCOHDPBKA-UHFFFAOYSA-N
MW487.52 g/mol
LogP5.39
Rot. Bonds6

About 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine

1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine (PubChem CID 118057436) has the molecular formula C26H28F3N3O3 and a molecular weight of 487.52 g/mol. Its IUPAC name is 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine
PubChem CID118057436
Molecular FormulaC26H28F3N3O3
Molecular Weight487.52 g/mol
Exact Mass487.21
IUPAC Name1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(OC)cc(-c2cncc(-c3ccc(C(F)(F)F)cc3OC)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H28F3N3O3/c1-33-19-10-16(11-20(13-19)34-2)22-14-31-15-23(25(22)32-8-6-18(30)7-9-32)21-5-4-17(26(27,28)29)12-24(21)35-3/h4-5,10-15,18H,6-9,30H2,1-3H3
InChIKeyYFXZVOCOHDPBKA-UHFFFAOYSA-N
XLogP5.39
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine with MolForge

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Related Compounds

1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057706
2-[4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-5-(trifluoromethyl)phenol
CID 118308015
(2S,3R)-2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxolan-3-amine
CID 136588619
1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057652
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile
CID 118057756
1-[3-(3-fluoro-5-methylphenyl)-5-[4-(trifluoromethyl)cyclohexen-1-yl]-4-pyridinyl]piperidin-4-amine
CID 90070286
[1-[3-(3,5-dimethoxyphenyl)-5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-yl]methanamine
CID 118057725
1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164623072
1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057566
[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 168665249
1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine
CID 82582646

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine (CID 118057436) is 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine is COc1cc(OC)cc(-c2cncc(-c3ccc(C(F)(F)F)cc3OC)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine?
The InChIKey is YFXZVOCOHDPBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O3/c1-33-19-10-16(11-20(13-19)34-2)22-14-31-15-23(25(22)32-8-6-18(30)7-9-32)21-5-4-17(26(27,28)29)12-24(21)35-3/h4-5,10-15,18H,6-9,30H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine?
1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine has a molecular weight of 487.52 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118057436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).