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

C18H20BrNO2 — CID 7640054

IUPAC(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N1CCCCC1
InChIInChI=1S/C18H20BrNO2/c1-13(18(21)20-11-5-2-6-12-20)22-16-10-9-14-7-3-4-8-15(14)17(16)19/h3-4,7-10,13H,2,5-6,11-12H2,1H3/t13-/m1/s1
InChIKeyDBUVHHAOAKUVRW-CYBMUJFWSA-N
MW362.27 g/mol
LogP4.38
Rot. Bonds3

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

(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one (PubChem CID 7640054) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is (2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
PubChem CID7640054
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N1CCCCC1
InChIInChI=1S/C18H20BrNO2/c1-13(18(21)20-11-5-2-6-12-20)22-16-10-9-14-7-3-4-8-15(14)17(16)19/h3-4,7-10,13H,2,5-6,11-12H2,1H3/t13-/m1/s1
InChIKeyDBUVHHAOAKUVRW-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

(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one
CID 43326380
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
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
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
[1-(azepan-1-yl)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 47011640
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
1-(azepan-1-yl)-2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propan-1-one
CID 79163826
2-[4-(aminomethyl)-2-bromophenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 55147322

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one (CID 7640054) is (2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one is C[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N1CCCCC1.
What is the InChIKey of (2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is DBUVHHAOAKUVRW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13(18(21)20-11-5-2-6-12-20)22-16-10-9-14-7-3-4-8-15(14)17(16)19/h3-4,7-10,13H,2,5-6,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one?
(2R)-2-(1-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-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 7640054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).