(3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone

C15H21BrN2O2 — CID 119471332

IUPAC(3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC(C)Oc1cc(Br)cc(C(=O)N2CCNCC2C)c1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)20-14-7-12(6-13(16)8-14)15(19)18-5-4-17-9-11(18)3/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyJUIDQXFTWOZFTB-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.67
Rot. Bonds3

About (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone

(3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 119471332) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID119471332
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC(C)Oc1cc(Br)cc(C(=O)N2CCNCC2C)c1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)20-14-7-12(6-13(16)8-14)15(19)18-5-4-17-9-11(18)3/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyJUIDQXFTWOZFTB-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-propan-2-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113418
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473006
(3-bromo-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705366
(3-bromo-4-methoxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705661
(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
CID 119471460
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide
CID 119446488
(4-bromo-1-cyclopropylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 62674187
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone (CID 119471332) is (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone is CC(C)Oc1cc(Br)cc(C(=O)N2CCNCC2C)c1.
What is the InChIKey of (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is JUIDQXFTWOZFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(2)20-14-7-12(6-13(16)8-14)15(19)18-5-4-17-9-11(18)3/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone?
(3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 341.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119471332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).