(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone

C17H18BrNO — CID 50849833

IUPAC(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C17H18BrNO/c1-12-6-2-3-11-19(12)17(20)15-9-4-8-14-13(15)7-5-10-16(14)18/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKeyZSJSYOZNUSEPLQ-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.62
Rot. Bonds1

About (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone

(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 50849833) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID50849833
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C17H18BrNO/c1-12-6-2-3-11-19(12)17(20)15-9-4-8-14-13(15)7-5-10-16(14)18/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKeyZSJSYOZNUSEPLQ-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylazepan-1-yl)methanone
CID 79883942
(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 167312115
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380

Frequently Asked Questions

What is the IUPAC name of (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone (CID 50849833) is (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cccc2c(Br)cccc12.
What is the InChIKey of (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is ZSJSYOZNUSEPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-6-2-3-11-19(12)17(20)15-9-4-8-14-13(15)7-5-10-16(14)18/h4-5,7-10,12H,2-3,6,11H2,1H3.
What are the key properties of (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone?
(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 332.24 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 50849833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).