(5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C18H21BrN2O — CID 171661821

IUPAC(5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cccc3c(Br)cccc23)CC1
InChIInChI=1S/C18H21BrN2O/c1-13(2)20-9-11-21(12-10-20)18(22)16-7-3-6-15-14(16)5-4-8-17(15)19/h3-8,13H,9-12H2,1-2H3
InChIKeyLFASDHNCSGUTSQ-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.77
Rot. Bonds2

About (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 171661821) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID171661821
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name(5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cccc3c(Br)cccc23)CC1
InChIInChI=1S/C18H21BrN2O/c1-13(2)20-9-11-21(12-10-20)18(22)16-7-3-6-15-14(16)5-4-8-17(15)19/h3-8,13H,9-12H2,1-2H3
InChIKeyLFASDHNCSGUTSQ-UHFFFAOYSA-N
XLogP3.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994515
(2-iodo-3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039262
(2-bromo-5-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994516
(2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone
CID 110708761
[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 63107797
(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 113237342
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43420911
(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62660994
(4-bromo-2-fluoro-5-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 167312108
(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 50849833
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346

Frequently Asked Questions

What is the IUPAC name of (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 171661821) is (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cccc3c(Br)cccc23)CC1.
What is the InChIKey of (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is LFASDHNCSGUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-13(2)20-9-11-21(12-10-20)18(22)16-7-3-6-15-14(16)5-4-8-17(15)19/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 361.28 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 171661821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).