(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol

C13H17Cl2NO — CID 16719669

IUPAC(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol
SMILESOC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2/t10-,13-/m1/s1
InChIKeyVBLILHAGVIRWHD-ZWNOBZJWSA-N
MW274.19 g/mol
LogP3.21
Rot. Bonds3

About (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol

(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol (PubChem CID 16719669) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol
PubChem CID16719669
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol
SMILESOC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2/t10-,13-/m1/s1
InChIKeyVBLILHAGVIRWHD-ZWNOBZJWSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dichloroisoproterenol
CID 5806
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
Dichloroisoproterenol, (R)-
CID 443400
(+/-)-threo-3'',4''-Dichlororitalinol methyl ether
CID 52942344
(+/-)-threo-N-Benzyl-3'',4''-dichlororitalinol
CID 52945159
(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane
CID 46866510
5-(3,4-Dichlorophenyl)-9-oxa-2-azaspiro[5.5]undecane
CID 145970103
Rac-1-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-6-YL)methanol (structural mix)
CID 24802843
[(1S,5S,6R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 24825720
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 29938807
[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 45379827
2-[(1R,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol
CID 45380185

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol?
The IUPAC name of (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol (CID 16719669) is (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol.
What is the SMILES notation for (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol?
The canonical SMILES for (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol is OC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol?
The InChIKey is VBLILHAGVIRWHD-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2/t10-,13-/m1/s1.
What are the key properties of (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol?
(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol has a molecular weight of 274.19 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol is sourced from PubChem (CID 16719669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).