1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine

C25H28FN3O — CID 118057706

IUPAC1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(-c2cncc(-c3cc(C)cc(F)c3)c2N2CCC(N)CC2)ccc1C
InChIInChI=1S/C25H28FN3O/c1-16-10-19(12-20(26)11-16)23-15-28-14-22(18-5-4-17(2)24(13-18)30-3)25(23)29-8-6-21(27)7-9-29/h4-5,10-15,21H,6-9,27H2,1-3H3
InChIKeyQACISHFEXRIILH-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.11
Rot. Bonds4

About 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine

1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine (PubChem CID 118057706) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine
PubChem CID118057706
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(-c2cncc(-c3cc(C)cc(F)c3)c2N2CCC(N)CC2)ccc1C
InChIInChI=1S/C25H28FN3O/c1-16-10-19(12-20(26)11-16)23-15-28-14-22(18-5-4-17(2)24(13-18)30-3)25(23)29-8-6-21(27)7-9-29/h4-5,10-15,21H,6-9,27H2,1-3H3
InChIKeyQACISHFEXRIILH-UHFFFAOYSA-N
XLogP5.11
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine (CID 118057706) is 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine is COc1cc(-c2cncc(-c3cc(C)cc(F)c3)c2N2CCC(N)CC2)ccc1C.
What is the InChIKey of 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is QACISHFEXRIILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O/c1-16-10-19(12-20(26)11-16)23-15-28-14-22(18-5-4-17(2)24(13-18)30-3)25(23)29-8-6-21(27)7-9-29/h4-5,10-15,21H,6-9,27H2,1-3H3.
What are the key properties of 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine?
1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 405.52 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118057706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).