methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate

C12H14Cl2N2O2 — CID 113080518

IUPACmethyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-12(17)16-7-5-15(6-8-16)10-4-2-3-9(13)11(10)14/h2-4H,5-8H2,1H3
InChIKeyCHDJBBDRFZISFV-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.88
Rot. Bonds1

About methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate

methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate (PubChem CID 113080518) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
PubChem CID113080518
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Namemethyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-12(17)16-7-5-15(6-8-16)10-4-2-3-9(13)11(10)14/h2-4H,5-8H2,1H3
InChIKeyCHDJBBDRFZISFV-UHFFFAOYSA-N
XLogP2.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
methyl 4-(2,6-dichlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 71982036
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573947
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069399
ethyl 4-(3-chloro-2-formylphenyl)piperazine-1-carboxylate
CID 107877137
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 86345330
4-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107696

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate (CID 113080518) is methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate is COC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate?
The InChIKey is CHDJBBDRFZISFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-18-12(17)16-7-5-15(6-8-16)10-4-2-3-9(13)11(10)14/h2-4H,5-8H2,1H3.
What are the key properties of methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate?
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate has a molecular weight of 289.16 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 113080518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).