(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one

C14H18BrNO2 — CID 28825799

IUPAC(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Oc1ccccc1Br)C(=O)N1CCCCC1
InChIInChI=1S/C14H18BrNO2/c1-11(14(17)16-9-5-2-6-10-16)18-13-8-4-3-7-12(13)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3/t11-/m1/s1
InChIKeyPFKSGKAEVWVSCS-LLVKDONJSA-N
MW312.21 g/mol
LogP3.23
Rot. Bonds3

About (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one

(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 28825799) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID28825799
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Oc1ccccc1Br)C(=O)N1CCCCC1
InChIInChI=1S/C14H18BrNO2/c1-11(14(17)16-9-5-2-6-10-16)18-13-8-4-3-7-12(13)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3/t11-/m1/s1
InChIKeyPFKSGKAEVWVSCS-LLVKDONJSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 110280483
2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111118289
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
2-(5-amino-2-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 103009013
(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7640054
1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43908541
2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 107713064
2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981257
N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one (CID 28825799) is (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one is C[C@@H](Oc1ccccc1Br)C(=O)N1CCCCC1.
What is the InChIKey of (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is PFKSGKAEVWVSCS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-11(14(17)16-9-5-2-6-10-16)18-13-8-4-3-7-12(13)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one?
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 312.21 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 28825799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).