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

C13H24F2N2O — CID 113463353

IUPAC2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)=CCN1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C13H24F2N2O/c1-11(2)3-6-17-7-4-12(5-8-17)16-9-13(14,15)10-18/h3,12,16,18H,4-10H2,1-2H3
InChIKeyKQZYZMBHHHWAOX-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.63
Rot. Bonds6

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

2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 113463353) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID113463353
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)=CCN1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C13H24F2N2O/c1-11(2)3-6-17-7-4-12(5-8-17)16-9-13(14,15)10-18/h3,12,16,18H,4-10H2,1-2H3
InChIKeyKQZYZMBHHHWAOX-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'}

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

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Related Compounds

2-Methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 65031526
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethoxy)piperidin-4-amine
CID 82711569
1,1,1-Trifluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 103778667
1,1-Difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 103787959
2,2-Difluoro-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propan-1-ol
CID 113463342
2,2-Dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 115359100
3-[[1-(2,2-Difluoroethyl)piperidin-4-yl]amino]-2-methylpropan-1-ol
CID 115712199
2-Methyl-3-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 116493966
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43770605
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
CID 43771130
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]ethanol
CID 43774103

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol (CID 113463353) is 2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol is CC(C)=CCN1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of 2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is KQZYZMBHHHWAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-11(2)3-6-17-7-4-12(5-8-17)16-9-13(14,15)10-18/h3,12,16,18H,4-10H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-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 2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 113463353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).