prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate

C14H17BrN2O2 — CID 170459088

IUPACprop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H17BrN2O2/c1-2-10-19-14(18)17-8-6-16(7-9-17)13-5-3-4-12(15)11-13/h2-5,11H,1,6-10H2
InChIKeyHCIVUXXKJRBUFN-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.89
Rot. Bonds3

About prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate

prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate (PubChem CID 170459088) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate
PubChem CID170459088
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Nameprop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H17BrN2O2/c1-2-10-19-14(18)17-8-6-16(7-9-17)13-5-3-4-12(15)11-13/h2-5,11H,1,6-10H2
InChIKeyHCIVUXXKJRBUFN-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113079434
1-(3-bromophenyl)pyrrolidine
CID 7016459
benzyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate
CID 133397558
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 136542143
10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one
CID 162647463
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
tert-butyl 4-(3-formylphenyl)piperazine-1-carboxylate
CID 53402759
tert-butyl 4-[3-(bromomethyl)phenyl]piperazine-1-carboxylate
CID 118989347

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate (CID 170459088) is prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate is C=CCOC(=O)N1CCN(c2cccc(Br)c2)CC1.
What is the InChIKey of prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate?
The InChIKey is HCIVUXXKJRBUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-10-19-14(18)17-8-6-16(7-9-17)13-5-3-4-12(15)11-13/h2-5,11H,1,6-10H2.
What are the key properties of prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate?
prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate has a molecular weight of 325.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 170459088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).