1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine

C18H27F2N3O — CID 125441397

IUPAC1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine
SMILESC[C@H](CN1CCOCC1)NC1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H27F2N3O/c1-14(13-22-8-10-24-11-9-22)21-15-4-6-23(7-5-15)16-2-3-17(19)18(20)12-16/h2-3,12,14-15,21H,4-11,13H2,1H3/t14-/m1/s1
InChIKeyWGYLQGKCMCBLMT-CQSZACIVSA-N
MW339.43 g/mol
LogP2.24
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine

1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine (PubChem CID 125441397) has the molecular formula C18H27F2N3O and a molecular weight of 339.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine
PubChem CID125441397
Molecular FormulaC18H27F2N3O
Molecular Weight339.43 g/mol
Exact Mass339.21
IUPAC Name1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine
SMILESC[C@H](CN1CCOCC1)NC1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H27F2N3O/c1-14(13-22-8-10-24-11-9-22)21-15-4-6-23(7-5-15)16-2-3-17(19)18(20)12-16/h2-3,12,14-15,21H,4-11,13H2,1H3/t14-/m1/s1
InChIKeyWGYLQGKCMCBLMT-CQSZACIVSA-N
XLogP2.24
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675786
N-(1-morpholin-4-ylpropan-2-yl)piperidin-4-amine
CID 61016694
3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine
CID 43675913
N-(1-morpholin-4-ylpropan-2-yl)spiro[4.5]decan-8-amine
CID 114817280
N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103932415
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 60591659
3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445678
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051875
3-fluoro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 62733426
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine
CID 97231653

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine (CID 125441397) is 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine is C[C@H](CN1CCOCC1)NC1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine?
The InChIKey is WGYLQGKCMCBLMT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27F2N3O/c1-14(13-22-8-10-24-11-9-22)21-15-4-6-23(7-5-15)16-2-3-17(19)18(20)12-16/h2-3,12,14-15,21H,4-11,13H2,1H3/t14-/m1/s1.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine?
1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine has a molecular weight of 339.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine is sourced from PubChem (CID 125441397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).