(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol

C15H23ClN2O — CID 79026265

IUPAC(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCCC(N(C)C)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(19)12-6-7-15(14(16)9-12)18-8-4-5-13(10-18)17(2)3/h6-7,9,11,13,19H,4-5,8,10H2,1-3H3/t11-,13?/m1/s1
InChIKeyKNOQWQNGTITIFP-JTDNENJMSA-N
MW282.81 g/mol
LogP2.92
Rot. Bonds3

About (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol

(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol (PubChem CID 79026265) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol
PubChem CID79026265
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCCC(N(C)C)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(19)12-6-7-15(14(16)9-12)18-8-4-5-13(10-18)17(2)3/h6-7,9,11,13,19H,4-5,8,10H2,1-3H3/t11-,13?/m1/s1
InChIKeyKNOQWQNGTITIFP-JTDNENJMSA-N
XLogP2.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol (CID 79026265) is (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol is C[C@@H](O)c1ccc(N2CCCC(N(C)C)C2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
The InChIKey is KNOQWQNGTITIFP-JTDNENJMSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(19)12-6-7-15(14(16)9-12)18-8-4-5-13(10-18)17(2)3/h6-7,9,11,13,19H,4-5,8,10H2,1-3H3/t11-,13?/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol has a molecular weight of 282.81 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 79026265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).