(2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol

C12H24F2N2O — CID 75380936

IUPAC(2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCC(N(C)CC(F)F)CC1
InChIInChI=1S/C12H24F2N2O/c1-3-11(17)8-16-6-4-10(5-7-16)15(2)9-12(13)14/h10-12,17H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyOKBOGWADLJBTMB-LLVKDONJSA-N
MW250.33 g/mol
LogP1.42
Rot. Bonds6

About (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol

(2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol (PubChem CID 75380936) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol
PubChem CID75380936
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name(2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCC(N(C)CC(F)F)CC1
InChIInChI=1S/C12H24F2N2O/c1-3-11(17)8-16-6-4-10(5-7-16)15(2)9-12(13)14/h10-12,17H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyOKBOGWADLJBTMB-LLVKDONJSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
1-(2-hydroxybutyl)piperidine-4-carbonitrile
CID 63631900
1-[4-(ethylamino)piperidin-1-yl]butan-2-ol
CID 60883910
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171
1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 62198498
1-(azonan-1-yl)butan-2-ol
CID 130671766
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 112561270
1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]propan-2-ol
CID 55004070

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol (CID 75380936) is (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCC(N(C)CC(F)F)CC1.
What is the InChIKey of (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol?
The InChIKey is OKBOGWADLJBTMB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-3-11(17)8-16-6-4-10(5-7-16)15(2)9-12(13)14/h10-12,17H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol?
(2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol has a molecular weight of 250.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 75380936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).