methyl 4-(2-phenylethyl)piperazine-1-carboxylate

C14H20N2O2 — CID 1246166

IUPACmethyl 4-(2-phenylethyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)16-11-9-15(10-12-16)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyVQFYMVFFAJJYOL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds3

About methyl 4-(2-phenylethyl)piperazine-1-carboxylate

methyl 4-(2-phenylethyl)piperazine-1-carboxylate (PubChem CID 1246166) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 4-(2-phenylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-phenylethyl)piperazine-1-carboxylate
PubChem CID1246166
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 4-(2-phenylethyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)16-11-9-15(10-12-16)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyVQFYMVFFAJJYOL-UHFFFAOYSA-N
XLogP1.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
methyl 4-(2-phenylethylsulfonyl)piperazine-1-carboxylate
CID 110818523
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
4-amino-3-methoxy-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120594946
N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 6470753

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-phenylethyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2-phenylethyl)piperazine-1-carboxylate (CID 1246166) is methyl 4-(2-phenylethyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-phenylethyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2-phenylethyl)piperazine-1-carboxylate is COC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of methyl 4-(2-phenylethyl)piperazine-1-carboxylate?
The InChIKey is VQFYMVFFAJJYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14(17)16-11-9-15(10-12-16)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of methyl 4-(2-phenylethyl)piperazine-1-carboxylate?
methyl 4-(2-phenylethyl)piperazine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-phenylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 1246166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).