1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol

C15H30F2N2O — CID 83993131

IUPAC1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)F)CN(C(C)CC)C1
InChIInChI=1S/C15H30F2N2O/c1-4-11(3)19-9-12(7-14(20)5-2)6-13(10-19)18-8-15(16)17/h11-15,18,20H,4-10H2,1-3H3
InChIKeyILTIBYBZUUWZBH-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.49
Rot. Bonds8

About 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol

1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83993131) has the molecular formula C15H30F2N2O and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83993131
Molecular FormulaC15H30F2N2O
Molecular Weight292.41 g/mol
Exact Mass292.23
IUPAC Name1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)F)CN(C(C)CC)C1
InChIInChI=1S/C15H30F2N2O/c1-4-11(3)19-9-12(7-14(20)5-2)6-13(10-19)18-8-15(16)17/h11-15,18,20H,4-10H2,1-3H3
InChIKeyILTIBYBZUUWZBH-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83994299
2-[3-(2,2-difluoroethylamino)-5-(2-hydroxybutyl)piperidin-1-yl]acetonitrile
CID 83993358
2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
CID 83994764
1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83999141
1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993258
3-[5-(2,2-difluoroethylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83992910
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992434
1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83993425
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995783

Frequently Asked Questions

What is the IUPAC name of 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol (CID 83993131) is 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC(F)F)CN(C(C)CC)C1.
What is the InChIKey of 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is ILTIBYBZUUWZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2O/c1-4-11(3)19-9-12(7-14(20)5-2)6-13(10-19)18-8-15(16)17/h11-15,18,20H,4-10H2,1-3H3.
What are the key properties of 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol?
1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 292.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83993131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).