(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one

C18H20BrNO2 — CID 7916276

IUPAC(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Oc1ccc2cc(Br)ccc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C18H20BrNO2/c1-13(18(21)20-9-3-2-4-10-20)22-17-8-6-14-11-16(19)7-5-15(14)12-17/h5-8,11-13H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyPEGBEDJZJUNFNL-CYBMUJFWSA-N
MW362.27 g/mol
LogP4.38
Rot. Bonds3

About (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one

(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one (PubChem CID 7916276) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
PubChem CID7916276
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Oc1ccc2cc(Br)ccc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C18H20BrNO2/c1-13(18(21)20-9-3-2-4-10-20)22-17-8-6-14-11-16(19)7-5-15(14)12-17/h5-8,11-13H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyPEGBEDJZJUNFNL-CYBMUJFWSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 8587224
2-(4-bromo-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 83133278
2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 65202836
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)propan-1-one
CID 115918466
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylphenoxy)propan-1-one
CID 107723487
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
1-(azepan-1-yl)-2-[6-(2-methylpyrimidin-5-yl)naphthalen-2-yl]oxypropan-1-one
CID 175644301
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
2-(4-bromophenoxy)-1-(1,4-diazepan-1-yl)propan-1-one
CID 119418410

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one (CID 7916276) is (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one is C[C@@H](Oc1ccc2cc(Br)ccc2c1)C(=O)N1CCCCC1.
What is the InChIKey of (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is PEGBEDJZJUNFNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13(18(21)20-9-3-2-4-10-20)22-17-8-6-14-11-16(19)7-5-15(14)12-17/h5-8,11-13H,2-4,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one?
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one has a molecular weight of 362.27 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 7916276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).