methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate

C15H22N2O2 — CID 69129778

IUPACmethyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12(2)16-8-10-17(11-9-16)14-6-4-13(5-7-14)15(18)19-3/h4-7,12H,8-11H2,1-3H3
InChIKeyHXWOPDVINWBUOH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.00
Rot. Bonds3

About methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate

methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate (PubChem CID 69129778) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
PubChem CID69129778
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12(2)16-8-10-17(11-9-16)14-6-4-13(5-7-14)15(18)19-3/h4-7,12H,8-11H2,1-3H3
InChIKeyHXWOPDVINWBUOH-UHFFFAOYSA-N
XLogP2.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-bromo-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalene-2-carboxylate
CID 171637549
(4-methylsulfanylphenyl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 166135522
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
methyl 6-(4-methoxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalene-2-carboxylate
CID 171637487
methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate
CID 97280710
methyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112397
(2-cyanocyclohexyl) 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 75440093
2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 122067321
methyl 4-[[4-(4-acetylphenyl)piperazin-1-yl]diazenyl]benzoate
CID 71258470
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate?
The IUPAC name of methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate (CID 69129778) is methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate.
What is the SMILES notation for methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate?
The canonical SMILES for methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate is COC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1.
What is the InChIKey of methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate?
The InChIKey is HXWOPDVINWBUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)16-8-10-17(11-9-16)14-6-4-13(5-7-14)15(18)19-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate?
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate is sourced from PubChem (CID 69129778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).