5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine

C23H23F2N3O — CID 69218307

IUPAC5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
SMILESNc1cncc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1
InChIInChI=1S/C23H23F2N3O/c24-22-6-5-21(12-23(22)25)29-20-3-1-16(2-4-20)15-28-9-7-17(8-10-28)18-11-19(26)14-27-13-18/h1-6,11-14,17H,7-10,15,26H2
InChIKeyYBZLMLRTCBTOAR-UHFFFAOYSA-N
MW395.45 g/mol
LogP5.11
Rot. Bonds5

About 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine

5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine (PubChem CID 69218307) has the molecular formula C23H23F2N3O and a molecular weight of 395.45 g/mol. Its IUPAC name is 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
PubChem CID69218307
Molecular FormulaC23H23F2N3O
Molecular Weight395.45 g/mol
Exact Mass395.18
IUPAC Name5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
SMILESNc1cncc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1
InChIInChI=1S/C23H23F2N3O/c24-22-6-5-21(12-23(22)25)29-20-3-1-16(2-4-20)15-28-9-7-17(8-10-28)18-11-19(26)14-27-13-18/h1-6,11-14,17H,7-10,15,26H2
InChIKeyYBZLMLRTCBTOAR-UHFFFAOYSA-N
XLogP5.11
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-fluoro-4-methylaniline
CID 69218457
2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine
CID 121275134
N-[5-[1-[[6-[C-(3,4-difluorophenyl)-N-hydroxycarbonimidoyl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridinyl]acetamide
CID 154041444
4-(5-amino-3-pyridinyl)piperidine-1-carboxylic acid
CID 69115418
3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine
CID 134790701
2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
CID 82292770
4-[(4-fluoropiperidin-1-yl)methyl]aniline
CID 68980822
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665
5-(4,4-difluorocyclohexyl)pyridin-3-amine
CID 156574483
N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 118348853
5-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107171750
1-[[4-(3,4-difluorophenoxy)phenyl]methyl]-4-sulfanylpyrrolidin-2-one
CID 22292884

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine?
The IUPAC name of 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine (CID 69218307) is 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine.
What is the SMILES notation for 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine?
The canonical SMILES for 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine is Nc1cncc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1.
What is the InChIKey of 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine?
The InChIKey is YBZLMLRTCBTOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O/c24-22-6-5-21(12-23(22)25)29-20-3-1-16(2-4-20)15-28-9-7-17(8-10-28)18-11-19(26)14-27-13-18/h1-6,11-14,17H,7-10,15,26H2.
What are the key properties of 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine?
5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine has a molecular weight of 395.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine is sourced from PubChem (CID 69218307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).