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

C13H17Cl2NO — CID 68653619

IUPAC2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
SMILESOCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2/t13-/m0/s1
InChIKeyNFEQUCGNNCYRCD-ZDUSSCGKSA-N
MW274.19 g/mol
LogP3.00
Rot. Bonds3

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

2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol (PubChem CID 68653619) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
PubChem CID68653619
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
SMILESOCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2/t13-/m0/s1
InChIKeyNFEQUCGNNCYRCD-ZDUSSCGKSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol (CID 68653619) is 2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol is OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCNC1.
What is the InChIKey of 2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol?
The InChIKey is NFEQUCGNNCYRCD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2/t13-/m0/s1.
What are the key properties of 2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol?
2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol has a molecular weight of 274.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 68653619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).