2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine

C15H23F2N5O — CID 58227987

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine
SMILESNCC(c1cnc(N2CCOCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N5O/c16-15(17)1-3-21(4-2-15)13(9-18)12-10-19-14(20-11-12)22-5-7-23-8-6-22/h10-11,13H,1-9,18H2
InChIKeyPTLRPWCGFJDEHX-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.04
Rot. Bonds4

About 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine (PubChem CID 58227987) has the molecular formula C15H23F2N5O and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine
PubChem CID58227987
Molecular FormulaC15H23F2N5O
Molecular Weight327.38 g/mol
Exact Mass327.19
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine
SMILESNCC(c1cnc(N2CCOCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N5O/c16-15(17)1-3-21(4-2-15)13(9-18)12-10-19-14(20-11-12)22-5-7-23-8-6-22/h10-11,13H,1-9,18H2
InChIKeyPTLRPWCGFJDEHX-UHFFFAOYSA-N
XLogP1.04
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine (CID 58227987) is 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine is NCC(c1cnc(N2CCOCC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine?
The InChIKey is PTLRPWCGFJDEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O/c16-15(17)1-3-21(4-2-15)13(9-18)12-10-19-14(20-11-12)22-5-7-23-8-6-22/h10-11,13H,1-9,18H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine has a molecular weight of 327.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 58227987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).