(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone

C17H18BrNO2 — CID 171661899

IUPAC(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc3cccc(Br)c23)CC1
InChIInChI=1S/C17H18BrNO2/c1-21-13-8-10-19(11-9-13)17(20)14-6-2-4-12-5-3-7-15(18)16(12)14/h2-7,13H,8-11H2,1H3
InChIKeyYONIECGZFAXXRH-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.85
Rot. Bonds2

About (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone

(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 171661899) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID171661899
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc3cccc(Br)c23)CC1
InChIInChI=1S/C17H18BrNO2/c1-21-13-8-10-19(11-9-13)17(20)14-6-2-4-12-5-3-7-15(18)16(12)14/h2-7,13H,8-11H2,1H3
InChIKeyYONIECGZFAXXRH-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone with MolForge

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Related Compounds

2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
(3-bromo-2-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533814
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
(2-bromo-5-sulfanylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 107022638
(2-bromo-3-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 107982633
[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 62649265
4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 60729832
(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103746323
tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate
CID 171661894
(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone
CID 47131293

Frequently Asked Questions

What is the IUPAC name of (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone (CID 171661899) is (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2cccc3cccc(Br)c23)CC1.
What is the InChIKey of (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is YONIECGZFAXXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-21-13-8-10-19(11-9-13)17(20)14-6-2-4-12-5-3-7-15(18)16(12)14/h2-7,13H,8-11H2,1H3.
What are the key properties of (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone?
(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 348.24 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 171661899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).