(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride

C12H15Cl3N2O2 — CID 69143909

IUPAC(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C12H14Cl2N2O2.ClH/c13-10-2-1-9(11(14)7-10)8-18-12(17)16-5-3-15-4-6-16;/h1-2,7,15H,3-6,8H2;1H
InChIKeyPIFXEZJAPJQQAF-UHFFFAOYSA-N
MW325.62 g/mol
LogP2.96
Rot. Bonds2

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

(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride (PubChem CID 69143909) has the molecular formula C12H15Cl3N2O2 and a molecular weight of 325.62 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
PubChem CID69143909
Molecular FormulaC12H15Cl3N2O2
Molecular Weight325.62 g/mol
Exact Mass324.02
IUPAC Name(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C12H14Cl2N2O2.ClH/c13-10-2-1-9(11(14)7-10)8-18-12(17)16-5-3-15-4-6-16;/h1-2,7,15H,3-6,8H2;1H
InChIKeyPIFXEZJAPJQQAF-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride?
The IUPAC name of (2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride (CID 69143909) is (2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for (2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for (2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride is Cl.O=C(OCc1ccc(Cl)cc1Cl)N1CCNCC1.
What is the InChIKey of (2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride?
The InChIKey is PIFXEZJAPJQQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2.ClH/c13-10-2-1-9(11(14)7-10)8-18-12(17)16-5-3-15-4-6-16;/h1-2,7,15H,3-6,8H2;1H.
What are the key properties of (2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride?
(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride has a molecular weight of 325.62 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 69143909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).