1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine

C16H22BrN — CID 169410282

IUPAC1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine
SMILESCC1CCCCN1C1CCCc2c(Br)cccc21
InChIInChI=1S/C16H22BrN/c1-12-6-2-3-11-18(12)16-10-5-7-13-14(16)8-4-9-15(13)17/h4,8-9,12,16H,2-3,5-7,10-11H2,1H3
InChIKeyGJNAHSOHFHRFLP-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.70
Rot. Bonds1

About 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine

1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine (PubChem CID 169410282) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine.

Molecular Properties

Compound Name1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine
PubChem CID169410282
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine
SMILESCC1CCCCN1C1CCCc2c(Br)cccc21
InChIInChI=1S/C16H22BrN/c1-12-6-2-3-11-18(12)16-10-5-7-13-14(16)8-4-9-15(13)17/h4,8-9,12,16H,2-3,5-7,10-11H2,1H3
InChIKeyGJNAHSOHFHRFLP-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982641
1-[1-(4-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 114080943
1-(4-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxylic acid
CID 114081164
4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 15599085
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 102888008
1-(2,3-dibromophenyl)-2-methylpiperidine
CID 118878859
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol
CID 82965163
3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322982
4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 103910257
1,4-dibromo-2,3-dihydro-1H-indene
CID 63272450
2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 107604082
tert-butyl 3-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
CID 167365314

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine?
The IUPAC name of 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine (CID 169410282) is 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine.
What is the SMILES notation for 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine?
The canonical SMILES for 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine is CC1CCCCN1C1CCCc2c(Br)cccc21.
What is the InChIKey of 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine?
The InChIKey is GJNAHSOHFHRFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-12-6-2-3-11-18(12)16-10-5-7-13-14(16)8-4-9-15(13)17/h4,8-9,12,16H,2-3,5-7,10-11H2,1H3.
What are the key properties of 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine?
1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine has a molecular weight of 308.26 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine is sourced from PubChem (CID 169410282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).