1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol

C15H23BrN2O — CID 110898476

IUPAC1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
SMILESCN(C)C1CCN(CC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17(2)14-6-8-18(9-7-14)11-15(19)12-4-3-5-13(16)10-12/h3-5,10,14-15,19H,6-9,11H2,1-2H3
InChIKeySZZZRYXHILPVHS-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol

1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol (PubChem CID 110898476) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
PubChem CID110898476
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
SMILESCN(C)C1CCN(CC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17(2)14-6-8-18(9-7-14)11-15(19)12-4-3-5-13(16)10-12/h3-5,10,14-15,19H,6-9,11H2,1-2H3
InChIKeySZZZRYXHILPVHS-UHFFFAOYSA-N
XLogP2.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82130110
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CID 43585829
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CID 71986979
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CID 62265781
2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol (CID 110898476) is 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol is CN(C)C1CCN(CC(O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol?
The InChIKey is SZZZRYXHILPVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17(2)14-6-8-18(9-7-14)11-15(19)12-4-3-5-13(16)10-12/h3-5,10,14-15,19H,6-9,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol?
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol has a molecular weight of 327.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol is sourced from PubChem (CID 110898476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).