(3,5-dichlorophenyl)methyl piperazine-1-carboxylate

C12H14Cl2N2O2 — CID 59474105

IUPAC(3,5-dichlorophenyl)methyl piperazine-1-carboxylate
SMILESO=C(OCc1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C12H14Cl2N2O2/c13-10-5-9(6-11(14)7-10)8-18-12(17)16-3-1-15-2-4-16/h5-7,15H,1-4,8H2
InChIKeyRBPSRPYEBWMAGK-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.54
Rot. Bonds2

About (3,5-dichlorophenyl)methyl piperazine-1-carboxylate

(3,5-dichlorophenyl)methyl piperazine-1-carboxylate (PubChem CID 59474105) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl piperazine-1-carboxylate.

Molecular Properties

Compound Name(3,5-dichlorophenyl)methyl piperazine-1-carboxylate
PubChem CID59474105
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name(3,5-dichlorophenyl)methyl piperazine-1-carboxylate
SMILESO=C(OCc1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C12H14Cl2N2O2/c13-10-5-9(6-11(14)7-10)8-18-12(17)16-3-1-15-2-4-16/h5-7,15H,1-4,8H2
InChIKeyRBPSRPYEBWMAGK-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl piperazine-1-carboxylate
CID 643495
Carbamic acid, (2-pyrrolidinylethyl)-, o-chlorobenzyl ester, monohydrochloride
CID 58064
Carbamic acid, (2-(diethylamino)ethyl)-, o-chlorobenzyl ester, monohydrochloride
CID 58427
Carbamic acid, (2-(diethylamino)ethyl)-, p-chlorobenzyl ester, monohydrochloride
CID 58429
(3,5-Dichloro-4-fluorophenyl)methyl piperidine-1-carboxylate
CID 66720568
(4-Chloro-2-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720606
(3,5-Dichloro-4-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720609
(3-Chloro-5-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720619
(3-Chloro-4,5-difluorophenyl)methyl piperazine-1-carboxylate
CID 66720628
[3-Chloro-4-(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 66720678
[3-Chloro-5-(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 66720694
(4-Chloro-3-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720699

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)methyl piperazine-1-carboxylate?
The IUPAC name of (3,5-dichlorophenyl)methyl piperazine-1-carboxylate (CID 59474105) is (3,5-dichlorophenyl)methyl piperazine-1-carboxylate.
What is the SMILES notation for (3,5-dichlorophenyl)methyl piperazine-1-carboxylate?
The canonical SMILES for (3,5-dichlorophenyl)methyl piperazine-1-carboxylate is O=C(OCc1cc(Cl)cc(Cl)c1)N1CCNCC1.
What is the InChIKey of (3,5-dichlorophenyl)methyl piperazine-1-carboxylate?
The InChIKey is RBPSRPYEBWMAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-10-5-9(6-11(14)7-10)8-18-12(17)16-3-1-15-2-4-16/h5-7,15H,1-4,8H2.
What are the key properties of (3,5-dichlorophenyl)methyl piperazine-1-carboxylate?
(3,5-dichlorophenyl)methyl piperazine-1-carboxylate has a molecular weight of 289.16 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)methyl piperazine-1-carboxylate is sourced from PubChem (CID 59474105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).