(3-methoxyphenyl)methyl piperazine-1-carboxylate

C13H18N2O3 — CID 69142530

IUPAC(3-methoxyphenyl)methyl piperazine-1-carboxylate
SMILESCOc1cccc(COC(=O)N2CCNCC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-12-4-2-3-11(9-12)10-18-13(16)15-7-5-14-6-8-15/h2-4,9,14H,5-8,10H2,1H3
InChIKeyBROUVTNDVMDNGN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.24
Rot. Bonds3

About (3-methoxyphenyl)methyl piperazine-1-carboxylate

(3-methoxyphenyl)methyl piperazine-1-carboxylate (PubChem CID 69142530) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl piperazine-1-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl piperazine-1-carboxylate
PubChem CID69142530
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3-methoxyphenyl)methyl piperazine-1-carboxylate
SMILESCOc1cccc(COC(=O)N2CCNCC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-12-4-2-3-11(9-12)10-18-13(16)15-7-5-14-6-8-15/h2-4,9,14H,5-8,10H2,1H3
InChIKeyBROUVTNDVMDNGN-UHFFFAOYSA-N
XLogP1.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)methyl piperazine-1-carboxylate
CID 66720576
(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate
CID 167465187
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 95479218
(3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686728
(4-tert-butylphenyl)methyl piperazine-1-carboxylate
CID 69141163
(3-methoxyphenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate
CID 6734510
[4-methyl-3-(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 66720556
(2,4,6-trimethoxyphenyl)methyl 1,4-diazepane-1-carboxylate
CID 91448693
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl piperazine-1-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl piperazine-1-carboxylate (CID 69142530) is (3-methoxyphenyl)methyl piperazine-1-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl piperazine-1-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl piperazine-1-carboxylate is COc1cccc(COC(=O)N2CCNCC2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl piperazine-1-carboxylate?
The InChIKey is BROUVTNDVMDNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-12-4-2-3-11(9-12)10-18-13(16)15-7-5-14-6-8-15/h2-4,9,14H,5-8,10H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl piperazine-1-carboxylate?
(3-methoxyphenyl)methyl piperazine-1-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl piperazine-1-carboxylate is sourced from PubChem (CID 69142530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).