1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine

C15H29F2N3O — CID 97231653

IUPAC1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine
SMILESC[C@H](NC1CCN(CC(F)F)CC1)[C@@H](C)N1CCOCC1
InChIInChI=1S/C15H29F2N3O/c1-12(13(2)20-7-9-21-10-8-20)18-14-3-5-19(6-4-14)11-15(16)17/h12-15,18H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyFRUQLBIGMUOKLW-QWHCGFSZSA-N
MW305.41 g/mol
LogP1.41
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine

1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine (PubChem CID 97231653) has the molecular formula C15H29F2N3O and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine
PubChem CID97231653
Molecular FormulaC15H29F2N3O
Molecular Weight305.41 g/mol
Exact Mass305.23
IUPAC Name1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine
SMILESC[C@H](NC1CCN(CC(F)F)CC1)[C@@H](C)N1CCOCC1
InChIInChI=1S/C15H29F2N3O/c1-12(13(2)20-7-9-21-10-8-20)18-14-3-5-19(6-4-14)11-15(16)17/h12-15,18H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyFRUQLBIGMUOKLW-QWHCGFSZSA-N
XLogP1.41
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine with MolForge

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Related Compounds

2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724759
N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 99701525
trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429871
1-(2-fluoropropyl)-N-propan-2-ylpiperidin-4-amine
CID 167648403
N-(1-morpholin-4-ylpropan-2-yl)piperidin-4-amine
CID 61016694
1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen
CID 178010321
3-morpholin-4-yl-N-propan-2-ylbutan-2-amine
CID 115905686
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628
1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine
CID 125441397
N-(1-morpholin-4-ylpropan-2-yl)spiro[4.5]decan-8-amine
CID 114817280
(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 124883627
(2S)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 124883625

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine (CID 97231653) is 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine is C[C@H](NC1CCN(CC(F)F)CC1)[C@@H](C)N1CCOCC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine?
The InChIKey is FRUQLBIGMUOKLW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H29F2N3O/c1-12(13(2)20-7-9-21-10-8-20)18-14-3-5-19(6-4-14)11-15(16)17/h12-15,18H,3-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine?
1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine has a molecular weight of 305.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine is sourced from PubChem (CID 97231653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).