methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate

C15H22N2O2 — CID 45073007

IUPACmethyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCNC[C@H]1C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)14-10-16-8-9-17(14)13-7-5-4-6-12(13)15(18)19-3/h4-7,11,14,16H,8-10H2,1-3H3/t14-/m0/s1
InChIKeyYHKCLHZKJZIHSR-AWEZNQCLSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds3

About methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate

methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate (PubChem CID 45073007) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate
PubChem CID45073007
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCNC[C@H]1C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)14-10-16-8-9-17(14)13-7-5-4-6-12(13)15(18)19-3/h4-7,11,14,16H,8-10H2,1-3H3/t14-/m0/s1
InChIKeyYHKCLHZKJZIHSR-AWEZNQCLSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate
CID 45072841
1-(2-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64938034
methyl 2-(2-butylpiperazin-1-yl)benzoate
CID 75088525
1-(2-iodophenyl)-2-propan-2-ylpiperazine
CID 64932087
methyl 3-[(2S)-2-propan-2-ylpiperazin-1-yl]benzoate
CID 45073000
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
1-(2,4-dimethoxyphenyl)-2-propan-2-ylpiperazine
CID 64938228
methyl 2-[(3R)-3-methylpiperazin-1-yl]benzoate
CID 45072853
2-(2-methylpiperazin-1-yl)benzamide
CID 22411270
methyl 3-[[(2R)-2-propan-2-ylpiperazin-1-yl]methyl]benzoate
CID 45073009
methyl 2-[[(2S)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoate
CID 45072969
methyl 2-(azetidin-1-yl)benzoate
CID 131095388

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate?
The IUPAC name of methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate (CID 45073007) is methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate?
The canonical SMILES for methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate is COC(=O)c1ccccc1N1CCNC[C@H]1C(C)C.
What is the InChIKey of methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate?
The InChIKey is YHKCLHZKJZIHSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)14-10-16-8-9-17(14)13-7-5-4-6-12(13)15(18)19-3/h4-7,11,14,16H,8-10H2,1-3H3/t14-/m0/s1.
What are the key properties of methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate?
methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate has a molecular weight of 262.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate is sourced from PubChem (CID 45073007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).