1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol

C13H24F2N2O — CID 103787959

IUPAC1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
SMILESCC(C)=CCN1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C13H24F2N2O/c1-10(2)3-6-17-7-4-11(5-8-17)16-9-12(18)13(14)15/h3,11-13,16,18H,4-9H2,1-2H3
InChIKeyHBUXFQWBEJXOBG-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.63
Rot. Bonds6

About 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol

1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 103787959) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
PubChem CID103787959
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
SMILESCC(C)=CCN1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C13H24F2N2O/c1-10(2)3-6-17-7-4-11(5-8-17)16-9-12(18)13(14)15/h3,11-13,16,18H,4-9H2,1-2H3
InChIKeyHBUXFQWBEJXOBG-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]propan-2-ol
CID 43776293
1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63828182
1,1,1-Trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol
CID 63899437
1,1,1-Trifluoro-3-[4-(methylamino)piperidin-1-yl]propan-2-ol
CID 63899783
3-[4-(Ethylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 63899784
1,1,1-Trifluoro-3-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 63899981
1,1,1-Trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 63901063
1,1,1-Trifluoro-3-[methyl(piperidin-4-yl)amino]propan-2-ol
CID 63902122
3-[Ethyl(piperidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 63902123
1,1,1-Trifluoro-3-[piperidin-4-yl(propyl)amino]propan-2-ol
CID 63902124
1-[Piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 65279796
1,1,1-Trifluoro-3-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol
CID 75507574

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol (CID 103787959) is 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol is CC(C)=CCN1CCC(NCC(O)C(F)F)CC1.
What is the InChIKey of 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is HBUXFQWBEJXOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-10(2)3-6-17-7-4-11(5-8-17)16-9-12(18)13(14)15/h3,11-13,16,18H,4-9H2,1-2H3.
What are the key properties of 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol?
1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol has a molecular weight of 262.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 103787959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).