(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol

C16H24BrNO2 — CID 42559881

IUPAC(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@H]1C[C@H](C)CN(C[C@@H](O)COc2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrNO2/c1-12-7-13(2)9-18(8-12)10-15(19)11-20-16-5-3-14(17)4-6-16/h3-6,12-13,15,19H,7-11H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyCPFQUQPPMDHFQO-KCQAQPDRSA-N
MW342.28 g/mol
LogP3.17
Rot. Bonds5

About (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol

(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol (PubChem CID 42559881) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
PubChem CID42559881
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@H]1C[C@H](C)CN(C[C@@H](O)COc2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrNO2/c1-12-7-13(2)9-18(8-12)10-15(19)11-20-16-5-3-14(17)4-6-16/h3-6,12-13,15,19H,7-11H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyCPFQUQPPMDHFQO-KCQAQPDRSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-(4-tert-butylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415688
1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 4914511
1-[4-[(2S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7157868
N-[4-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
(2S)-1-(3,5-dimethylphenoxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 93325171
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[2-(4-fluorophenoxy)ethoxy]propan-2-ol
CID 100802808
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 42219804
(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 829491
1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415689
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 42443332
(2S)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 51422962
(3S)-1-[3-(4-bromophenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123162

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol (CID 42559881) is (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol is C[C@H]1C[C@H](C)CN(C[C@@H](O)COc2ccc(Br)cc2)C1.
What is the InChIKey of (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol?
The InChIKey is CPFQUQPPMDHFQO-KCQAQPDRSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-12-7-13(2)9-18(8-12)10-15(19)11-20-16-5-3-14(17)4-6-16/h3-6,12-13,15,19H,7-11H2,1-2H3/t12-,13-,15+/m0/s1.
What are the key properties of (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol?
(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol has a molecular weight of 342.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 42559881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).