(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol

C14H20BrNO2 — CID 97326124

IUPAC(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESOC[C@H]1CCCCN1C[C@@H](O)c1ccccc1Br
InChIInChI=1S/C14H20BrNO2/c15-13-7-2-1-6-12(13)14(18)9-16-8-4-3-5-11(16)10-17/h1-2,6-7,11,14,17-18H,3-5,8-10H2/t11-,14-/m1/s1
InChIKeyHFMFLDYPEACCQJ-BXUZGUMPSA-N
MW314.22 g/mol
LogP2.33
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol

(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol (PubChem CID 97326124) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol
PubChem CID97326124
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESOC[C@H]1CCCCN1C[C@@H](O)c1ccccc1Br
InChIInChI=1S/C14H20BrNO2/c15-13-7-2-1-6-12(13)14(18)9-16-8-4-3-5-11(16)10-17/h1-2,6-7,11,14,17-18H,3-5,8-10H2/t11-,14-/m1/s1
InChIKeyHFMFLDYPEACCQJ-BXUZGUMPSA-N
XLogP2.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol 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

1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 62629485
1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol
CID 62623121
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 61406761
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62625055
[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
CID 62617928
1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110877558
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol (CID 97326124) is (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol is OC[C@H]1CCCCN1C[C@@H](O)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol?
The InChIKey is HFMFLDYPEACCQJ-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20BrNO2/c15-13-7-2-1-6-12(13)14(18)9-16-8-4-3-5-11(16)10-17/h1-2,6-7,11,14,17-18H,3-5,8-10H2/t11-,14-/m1/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol?
(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 97326124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).