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

C13H18Cl3NO — CID 16719763

IUPAC(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
SMILESCl.OC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C13H17Cl2NO.ClH/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;1H/t10-,13-;/m1./s1
InChIKeyYPADRBKCIWLELG-HTMVYDOJSA-N
MW310.65 g/mol
LogP3.63
Rot. Bonds3

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

(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride (PubChem CID 16719763) has the molecular formula C13H18Cl3NO and a molecular weight of 310.65 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
PubChem CID16719763
Molecular FormulaC13H18Cl3NO
Molecular Weight310.65 g/mol
Exact Mass309.05
IUPAC Name(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
SMILESCl.OC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C13H17Cl2NO.ClH/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;1H/t10-,13-;/m1./s1
InChIKeyYPADRBKCIWLELG-HTMVYDOJSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dichloroisoproterenol
CID 5806
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
Dichloroisoproterenol, (R)-
CID 443400
Threo-3,4-dichlororitalinol hydrochloride
CID 16719669
(+/-)-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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride?
The IUPAC name of (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride (CID 16719763) is (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride?
The canonical SMILES for (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride is Cl.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;hydrochloride?
The InChIKey is YPADRBKCIWLELG-HTMVYDOJSA-N. The full InChI is InChI=1S/C13H17Cl2NO.ClH/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;1H/t10-,13-;/m1./s1.
What are the key properties of (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride?
(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride has a molecular weight of 310.65 g/mol, XLogP of 3.63, 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;hydrochloride is sourced from PubChem (CID 16719763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).