(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C14H19BrN2O2 — CID 56779831

IUPAC(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O2/c1-11(18)10-16-6-8-17(9-7-16)14(19)12-4-2-3-5-13(12)15/h2-5,11,18H,6-10H2,1H3
InChIKeyLPKKNFOPXAGVGD-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.59
Rot. Bonds3

About (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56779831) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56779831
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O2/c1-11(18)10-16-6-8-17(9-7-16)14(19)12-4-2-3-5-13(12)15/h2-5,11,18H,6-10H2,1H3
InChIKeyLPKKNFOPXAGVGD-UHFFFAOYSA-N
XLogP1.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
CID 1239368
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
(2-bromophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782979
(2-bromophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;hydrochloride
CID 123132402
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
1-[4-(2-bromobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817935
2-methylpropyl 4-(2-bromobenzoyl)piperazine-1-carboxylate
CID 108567870
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56802486
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
(2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone
CID 110708761

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56779831) is (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is LPKKNFOPXAGVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-11(18)10-16-6-8-17(9-7-16)14(19)12-4-2-3-5-13(12)15/h2-5,11,18H,6-10H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 327.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56779831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).