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

C14H20N2O4 — CID 66720576

IUPAC(3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate
SMILESCOc1cc(COC(=O)N2CCNCC2)cc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-18-12-7-11(8-13(9-12)19-2)10-20-14(17)16-5-3-15-4-6-16/h7-9,15H,3-6,10H2,1-2H3
InChIKeyPKIMEUATTOLGFL-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.25
Rot. Bonds4

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

(3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate (PubChem CID 66720576) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate
PubChem CID66720576
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate
SMILESCOc1cc(COC(=O)N2CCNCC2)cc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-18-12-7-11(8-13(9-12)19-2)10-20-14(17)16-5-3-15-4-6-16/h7-9,15H,3-6,10H2,1-2H3
InChIKeyPKIMEUATTOLGFL-UHFFFAOYSA-N
XLogP1.25
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)methyl piperazine-1-carboxylate
CID 69142530
(2,4,6-trimethoxyphenyl)methyl 1,4-diazepane-1-carboxylate
CID 91448693
[3,5-bis(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 87123270
(4-hydroxyphenyl)methyl piperazine-1-carboxylate
CID 141088102
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
(4-tert-butylphenyl)methyl piperazine-1-carboxylate
CID 69141163
(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate
CID 167465187
[4-methyl-3-(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 66720556
(2,4,6-trimethylphenyl)methyl 1,4-diazepane-1-carboxylate
CID 90924240
N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
CID 120982133
[4-(trifluoromethoxy)phenyl]methyl 1,4-diazepane-1-carboxylate
CID 91165580
[4-chloro-3-(trifluoromethoxy)phenyl]methyl piperazine-1-carboxylate
CID 66720697

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate?
The IUPAC name of (3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate (CID 66720576) is (3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate.
What is the SMILES notation for (3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate?
The canonical SMILES for (3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate is COc1cc(COC(=O)N2CCNCC2)cc(OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate?
The InChIKey is PKIMEUATTOLGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-12-7-11(8-13(9-12)19-2)10-20-14(17)16-5-3-15-4-6-16/h7-9,15H,3-6,10H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate?
(3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate is sourced from PubChem (CID 66720576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).