(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone

C14H16BrClN2O — CID 54912287

IUPAC(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H16BrClN2O/c15-10-1-4-13(16)12(9-10)14(19)18-7-5-17(6-8-18)11-2-3-11/h1,4,9,11H,2-3,5-8H2
InChIKeyVZKQWLJXEGRYQM-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.02
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 54912287) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID54912287
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H16BrClN2O/c15-10-1-4-13(16)12(9-10)14(19)18-7-5-17(6-8-18)11-2-3-11/h1,4,9,11H,2-3,5-8H2
InChIKeyVZKQWLJXEGRYQM-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-sulfanylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 107024682
(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616463
(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662663
(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 95271389
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 17249306
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
1-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776285

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 54912287) is (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone is O=C(c1cc(Br)ccc1Cl)N1CCN(C2CC2)CC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is VZKQWLJXEGRYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c15-10-1-4-13(16)12(9-10)14(19)18-7-5-17(6-8-18)11-2-3-11/h1,4,9,11H,2-3,5-8H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 343.65 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 54912287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).