1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone

C22H25BrN2O — CID 160786789

IUPAC1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C2CCc3cc(Br)ccc3C2)CC1
InChIInChI=1S/C22H25BrN2O/c23-20-8-6-19-16-21(9-7-18(19)15-20)24-10-12-25(13-11-24)22(26)14-17-4-2-1-3-5-17/h1-6,8,15,21H,7,9-14,16H2
InChIKeySBHSTEQPGCIOMO-UHFFFAOYSA-N
MW413.36 g/mol
LogP3.69
Rot. Bonds3

About 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone

1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone (PubChem CID 160786789) has the molecular formula C22H25BrN2O and a molecular weight of 413.36 g/mol. Its IUPAC name is 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone
PubChem CID160786789
Molecular FormulaC22H25BrN2O
Molecular Weight413.36 g/mol
Exact Mass412.12
IUPAC Name1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C2CCc3cc(Br)ccc3C2)CC1
InChIInChI=1S/C22H25BrN2O/c23-20-8-6-19-16-21(9-7-18(19)15-20)24-10-12-25(13-11-24)22(26)14-17-4-2-1-3-5-17/h1-6,8,15,21H,7,9-14,16H2
InChIKeySBHSTEQPGCIOMO-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone with MolForge

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Related Compounds

2-[1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-yl]acetic acid
CID 65060255
4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione
CID 99944895
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one
CID 95709460
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856
2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
CID 126434125
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 2912760
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 159629366
1-[2-oxo-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 56883257
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 17366301

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone (CID 160786789) is 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(C2CCc3cc(Br)ccc3C2)CC1.
What is the InChIKey of 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is SBHSTEQPGCIOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O/c23-20-8-6-19-16-21(9-7-18(19)15-20)24-10-12-25(13-11-24)22(26)14-17-4-2-1-3-5-17/h1-6,8,15,21H,7,9-14,16H2.
What are the key properties of 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone?
1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 413.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 160786789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).