(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol

C14H20BrNO2 — CID 808358

IUPAC(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccccc1Br)CN1CCCCC1
InChIInChI=1S/C14H20BrNO2/c15-13-6-2-3-7-14(13)18-11-12(17)10-16-8-4-1-5-9-16/h2-3,6-7,12,17H,1,4-5,8-11H2/t12-/m1/s1
InChIKeyKLBCAIPPVSRHBK-GFCCVEGCSA-N
MW314.22 g/mol
LogP2.67
Rot. Bonds5

About (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol

(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol (PubChem CID 808358) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
PubChem CID808358
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccccc1Br)CN1CCCCC1
InChIInChI=1S/C14H20BrNO2/c15-13-6-2-3-7-14(13)18-11-12(17)10-16-8-4-1-5-9-16/h2-3,6-7,12,17H,1,4-5,8-11H2/t12-/m1/s1
InChIKeyKLBCAIPPVSRHBK-GFCCVEGCSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 34207169
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
CID 43288772
ethyl 4-[3-(2-bromophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 4728847
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol (CID 808358) is (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol is O[C@@H](COc1ccccc1Br)CN1CCCCC1.
What is the InChIKey of (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol?
The InChIKey is KLBCAIPPVSRHBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20BrNO2/c15-13-6-2-3-7-14(13)18-11-12(17)10-16-8-4-1-5-9-16/h2-3,6-7,12,17H,1,4-5,8-11H2/t12-/m1/s1.
What are the key properties of (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol?
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol has a molecular weight of 314.22 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 808358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).