(3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride

C15H23ClN2O5 — CID 3051890

IUPAC(3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride
SMILESCOc1cc(OC(=O)N2CCN(C)CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C15H22N2O5.ClH/c1-16-5-7-17(8-6-16)15(18)22-11-9-12(19-2)14(21-4)13(10-11)20-3;/h9-10H,5-8H2,1-4H3;1H
InChIKeyDHDITJUBLNTMJJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP1.88
Rot. Bonds4

About (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride

(3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride (PubChem CID 3051890) has the molecular formula C15H23ClN2O5 and a molecular weight of 346.81 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride
PubChem CID3051890
Molecular FormulaC15H23ClN2O5
Molecular Weight346.81 g/mol
Exact Mass346.13
IUPAC Name(3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride
SMILESCOc1cc(OC(=O)N2CCN(C)CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C15H22N2O5.ClH/c1-16-5-7-17(8-6-16)15(18)22-11-9-12(19-2)14(21-4)13(10-11)20-3;/h9-10H,5-8H2,1-4H3;1H
InChIKeyDHDITJUBLNTMJJ-UHFFFAOYSA-N
XLogP1.88
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride?
The IUPAC name of (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride (CID 3051890) is (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride?
The canonical SMILES for (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride is COc1cc(OC(=O)N2CCN(C)CC2)cc(OC)c1OC.Cl.
What is the InChIKey of (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride?
The InChIKey is DHDITJUBLNTMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5.ClH/c1-16-5-7-17(8-6-16)15(18)22-11-9-12(19-2)14(21-4)13(10-11)20-3;/h9-10H,5-8H2,1-4H3;1H.
What are the key properties of (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride?
(3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride has a molecular weight of 346.81 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 3051890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).