N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine

C21H27FN4O — CID 75517321

IUPACN-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESFc1cc(NC2CCN(Cc3cccnc3)CC2)cc(N2CCOCC2)c1
InChIInChI=1S/C21H27FN4O/c22-18-12-20(14-21(13-18)26-8-10-27-11-9-26)24-19-3-6-25(7-4-19)16-17-2-1-5-23-15-17/h1-2,5,12-15,19,24H,3-4,6-11,16H2
InChIKeyXEUXVKZBUVSZSB-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.13
Rot. Bonds5

About N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine

N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 75517321) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID75517321
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESFc1cc(NC2CCN(Cc3cccnc3)CC2)cc(N2CCOCC2)c1
InChIInChI=1S/C21H27FN4O/c22-18-12-20(14-21(13-18)26-8-10-27-11-9-26)24-19-3-6-25(7-4-19)16-17-2-1-5-23-15-17/h1-2,5,12-15,19,24H,3-4,6-11,16H2
InChIKeyXEUXVKZBUVSZSB-UHFFFAOYSA-N
XLogP3.13
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine (CID 75517321) is N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine is Fc1cc(NC2CCN(Cc3cccnc3)CC2)cc(N2CCOCC2)c1.
What is the InChIKey of N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is XEUXVKZBUVSZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-18-12-20(14-21(13-18)26-8-10-27-11-9-26)24-19-3-6-25(7-4-19)16-17-2-1-5-23-15-17/h1-2,5,12-15,19,24H,3-4,6-11,16H2.
What are the key properties of N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine?
N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 370.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 75517321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).