(3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol

C51H83F8N5O11 — CID 159538331

IUPAC(3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol
SMILESCCCCN1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1.CC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(F)F.CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1C(F)F.OC(c1ccccc1)[C@H]1CNCC(O)[C@@H]1O.O[C@H]1[C@H](O)CN(Cc2ccccc2)C[C@@H]1C(F)F
InChIInChI=1S/C13H17F2NO2.C12H17NO3.C10H19F2NO2.2C8H15F2NO2/c14-13(15)10-7-16(8-11(17)12(10)18)6-9-4-2-1-3-5-9;14-10-7-13-6-9(12(10)16)11(15)8-4-2-1-3-5-8;1-2-3-4-13-5-7(10(11)12)9(15)8(14)6-13;2*1-2-4-6(8(9)10)7(13)5(12)3-11-4/h1-5,10-13,17-18H,6-8H2;1-5,9-16H,6-7H2;7-10,14-15H,2-6H2,1H3;2*4-8,11-13H,2-3H2,1H3/t10-,11+,12+;9-,10?,11?,12-;7-,8+,9+;4-,5+,6-,7-;4-,5-,6+,7+/m01001/s1
InChIKeyMDWMNXIVAROGLT-BGXXHSIOSA-N
MW1094.23 g/mol
LogP1.41
Rot. Bonds13

About (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol

(3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol (PubChem CID 159538331) has the molecular formula C51H83F8N5O11 and a molecular weight of 1094.23 g/mol. Its IUPAC name is (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol
PubChem CID159538331
Molecular FormulaC51H83F8N5O11
Molecular Weight1094.23 g/mol
Exact Mass1093.60
IUPAC Name(3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol
SMILESCCCCN1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1.CC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(F)F.CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1C(F)F.OC(c1ccccc1)[C@H]1CNCC(O)[C@@H]1O.O[C@H]1[C@H](O)CN(Cc2ccccc2)C[C@@H]1C(F)F
InChIInChI=1S/C13H17F2NO2.C12H17NO3.C10H19F2NO2.2C8H15F2NO2/c14-13(15)10-7-16(8-11(17)12(10)18)6-9-4-2-1-3-5-9;14-10-7-13-6-9(12(10)16)11(15)8-4-2-1-3-5-8;1-2-3-4-13-5-7(10(11)12)9(15)8(14)6-13;2*1-2-4-6(8(9)10)7(13)5(12)3-11-4/h1-5,10-13,17-18H,6-8H2;1-5,9-16H,6-7H2;7-10,14-15H,2-6H2,1H3;2*4-8,11-13H,2-3H2,1H3/t10-,11+,12+;9-,10?,11?,12-;7-,8+,9+;4-,5+,6-,7-;4-,5-,6+,7+/m01001/s1
InChIKeyMDWMNXIVAROGLT-BGXXHSIOSA-N
XLogP1.41
TPSA265.10 Ų
H-Bond Donors14
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001094.23
LogP ≤ 51.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1016

Analyze (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol with MolForge

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Related Compounds

(3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol
CID 126703574
(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 165353165
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3S,4R)-1-benzyl-4-(difluoromethyl)pyrrolidin-3-amine
CID 146050042
3-azabicyclo[3.1.0]hexane;3-benzyl-3-azabicyclo[3.1.0]hexane;methanol;hydrochloride
CID 160557029
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
1-benzyl-4-butylpiperazine;ethane
CID 90954358
(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol
CID 24783882
(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 67131561

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol (CID 159538331) is (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol is CCCCN1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1.CC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(F)F.CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1C(F)F.OC(c1ccccc1)[C@H]1CNCC(O)[C@@H]1O.O[C@H]1[C@H](O)CN(Cc2ccccc2)C[C@@H]1C(F)F.
What is the InChIKey of (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol?
The InChIKey is MDWMNXIVAROGLT-BGXXHSIOSA-N. The full InChI is InChI=1S/C13H17F2NO2.C12H17NO3.C10H19F2NO2.2C8H15F2NO2/c14-13(15)10-7-16(8-11(17)12(10)18)6-9-4-2-1-3-5-9;14-10-7-13-6-9(12(10)16)11(15)8-4-2-1-3-5-8;1-2-3-4-13-5-7(10(11)12)9(15)8(14)6-13;2*1-2-4-6(8(9)10)7(13)5(12)3-11-4/h1-5,10-13,17-18H,6-8H2;1-5,9-16H,6-7H2;7-10,14-15H,2-6H2,1H3;2*4-8,11-13H,2-3H2,1H3/t10-,11+,12+;9-,10?,11?,12-;7-,8+,9+;4-,5+,6-,7-;4-,5-,6+,7+/m01001/s1.
What are the key properties of (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol?
(3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol has a molecular weight of 1094.23 g/mol, XLogP of 1.41, 13 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol;(3R,4R,5S,6R)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5S,6S)-5-(difluoromethyl)-6-ethylpiperidine-3,4-diol;(3R,4R,5R)-5-[hydroxy(phenyl)methyl]piperidine-3,4-diol is sourced from PubChem (CID 159538331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).