2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride

C13H18Cl3NO — CID 71727754

IUPAC2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride
SMILESCl.OCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C13H17Cl2NO.ClH/c14-12-2-1-10(7-13(12)15)11(8-17)9-3-5-16-6-4-9;/h1-2,7,9,11,16-17H,3-6,8H2;1H
InChIKeyUMJOPAHCVSNVNC-UHFFFAOYSA-N
MW310.65 g/mol
LogP3.49
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride

2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride (PubChem CID 71727754) has the molecular formula C13H18Cl3NO and a molecular weight of 310.65 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride
PubChem CID71727754
Molecular FormulaC13H18Cl3NO
Molecular Weight310.65 g/mol
Exact Mass309.05
IUPAC Name2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride
SMILESCl.OCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C13H17Cl2NO.ClH/c14-12-2-1-10(7-13(12)15)11(8-17)9-3-5-16-6-4-9;/h1-2,7,9,11,16-17H,3-6,8H2;1H
InChIKeyUMJOPAHCVSNVNC-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.65
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 24802842
(1R,5S)-6-(butan-2-yloxymethyl)-6-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 25210872
exo-6-(3,4-Dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 25210873
(1S,5R)-6-(3,4-dichlorophenyl)-6-(2-ethoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 25210874
(1R,5S,6S)-1-(3,4-dichlorophenyl)-6-(2-ethoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 45378248
[(3R,4S)-4-(4-Chlorophenyl)-1-methylpiperidin-3-YL]methanol
CID 10657648
Gsk-1360707
CID 24802841
Threo-3,4-dichlororitalinol hydrochloride
CID 16719669
(+/-)-threo-3'',4''-Dichlororitalinol methyl ether
CID 52942344
(1R,5S)-6-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 46228786
(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane
CID 46866510
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-methyl-3-azabicyclo[3.1.0]hexane
CID 70691872

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride (CID 71727754) is 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride is Cl.OCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride?
The InChIKey is UMJOPAHCVSNVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO.ClH/c14-12-2-1-10(7-13(12)15)11(8-17)9-3-5-16-6-4-9;/h1-2,7,9,11,16-17H,3-6,8H2;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride?
2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride has a molecular weight of 310.65 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride is sourced from PubChem (CID 71727754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).