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

C15H22Cl2N2O — CID 46243969

IUPAC2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol
SMILESOCCNCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C15H22Cl2N2O/c16-13-3-2-12(10-14(13)17)15(4-1-6-19-11-15)5-7-18-8-9-20/h2-3,10,18-20H,1,4-9,11H2/t15-/m1/s1
InChIKeyZQOOXLSPBJTULW-OAHLLOKOSA-N
MW317.26 g/mol
LogP2.59
Rot. Bonds6

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

2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol (PubChem CID 46243969) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol
PubChem CID46243969
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol
SMILESOCCNCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C15H22Cl2N2O/c16-13-3-2-12(10-14(13)17)15(4-1-6-19-11-15)5-7-18-8-9-20/h2-3,10,18-20H,1,4-9,11H2/t15-/m1/s1
InChIKeyZQOOXLSPBJTULW-OAHLLOKOSA-N
XLogP2.59
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol?
The IUPAC name of 2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol (CID 46243969) is 2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol is OCCNCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1.
What is the InChIKey of 2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol?
The InChIKey is ZQOOXLSPBJTULW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c16-13-3-2-12(10-14(13)17)15(4-1-6-19-11-15)5-7-18-8-9-20/h2-3,10,18-20H,1,4-9,11H2/t15-/m1/s1.
What are the key properties of 2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol?
2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol has a molecular weight of 317.26 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]ethanol is sourced from PubChem (CID 46243969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).