methyl 4-(3-chlorophenyl)piperazine-1-carboxylate

C12H15ClN2O2 — CID 3752841

IUPACmethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-17-12(16)15-7-5-14(6-8-15)11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3
InChIKeyGZJXSVHBWUNWKJ-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.23
Rot. Bonds1

About methyl 4-(3-chlorophenyl)piperazine-1-carboxylate

methyl 4-(3-chlorophenyl)piperazine-1-carboxylate (PubChem CID 3752841) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is methyl 4-(3-chlorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
PubChem CID3752841
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Namemethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-17-12(16)15-7-5-14(6-8-15)11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3
InChIKeyGZJXSVHBWUNWKJ-UHFFFAOYSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418
methyl (E)-4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobut-2-enoate
CID 851909
methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 113078493
methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate
CID 110477788
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
methyl 3-[4-(3-chlorophenyl)piperazin-1-yl]prop-2-enoate
CID 79889359
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorophenyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-chlorophenyl)piperazine-1-carboxylate (CID 3752841) is methyl 4-(3-chlorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-chlorophenyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-chlorophenyl)piperazine-1-carboxylate is COC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of methyl 4-(3-chlorophenyl)piperazine-1-carboxylate?
The InChIKey is GZJXSVHBWUNWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-12(16)15-7-5-14(6-8-15)11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3.
What are the key properties of methyl 4-(3-chlorophenyl)piperazine-1-carboxylate?
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate has a molecular weight of 254.72 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 3752841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).