(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol

C19H22BrNO — CID 15048614

IUPAC(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
SMILESO[C@@H](CN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO/c20-18-8-6-17(7-9-18)19(22)14-21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,19,22H,10-14H2/t19-/m0/s1
InChIKeySGOVSIWKDDUZIG-IBGZPJMESA-N
MW360.30 g/mol
LogP4.36
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol

(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol (PubChem CID 15048614) has the molecular formula C19H22BrNO and a molecular weight of 360.30 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
PubChem CID15048614
Molecular FormulaC19H22BrNO
Molecular Weight360.30 g/mol
Exact Mass359.09
IUPAC Name(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
SMILESO[C@@H](CN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO/c20-18-8-6-17(7-9-18)19(22)14-21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,19,22H,10-14H2/t19-/m0/s1
InChIKeySGOVSIWKDDUZIG-IBGZPJMESA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19696304
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
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1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol
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(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
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4-[1-hydroxy-2-[4-(4-hydroxyphenyl)piperidin-1-yl]ethyl]benzoic acid
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1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 3030548
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
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1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
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CID 79980174

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol (CID 15048614) is (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol is O[C@@H](CN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol?
The InChIKey is SGOVSIWKDDUZIG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22BrNO/c20-18-8-6-17(7-9-18)19(22)14-21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,19,22H,10-14H2/t19-/m0/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol?
(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol has a molecular weight of 360.30 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol is sourced from PubChem (CID 15048614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).