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

C16H21BrN2O — CID 110708761

IUPAC(2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone
SMILESCC(C1CC1)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C16H21BrN2O/c1-12(13-6-7-13)18-8-10-19(11-9-18)16(20)14-4-2-3-5-15(14)17/h2-5,12-13H,6-11H2,1H3
InChIKeyYDDDTRWSRHMFJW-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.01
Rot. Bonds3

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

(2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone (PubChem CID 110708761) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone
PubChem CID110708761
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name(2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone
SMILESCC(C1CC1)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C16H21BrN2O/c1-12(13-6-7-13)18-8-10-19(11-9-18)16(20)14-4-2-3-5-15(14)17/h2-5,12-13H,6-11H2,1H3
InChIKeyYDDDTRWSRHMFJW-UHFFFAOYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-cyclopropylethyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110708758
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1244172
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
1-[4-(2-bromobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817935
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
2-methylpropyl 4-(2-bromobenzoyl)piperazine-1-carboxylate
CID 108567870
(5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 171661821
(3-bromo-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994515
1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
CID 39594396
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone (CID 110708761) is (2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone is CC(C1CC1)N1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone?
The InChIKey is YDDDTRWSRHMFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-12(13-6-7-13)18-8-10-19(11-9-18)16(20)14-4-2-3-5-15(14)17/h2-5,12-13H,6-11H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone has a molecular weight of 337.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110708761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).