methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate

C18H27NO2 — CID 52943877

IUPACmethyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CCCCN1
InChIInChI=1S/C18H27NO2/c1-18(2,3)14-10-8-13(9-11-14)16(17(20)21-4)15-7-5-6-12-19-15/h8-11,15-16,19H,5-7,12H2,1-4H3/t15-,16-/m1/s1
InChIKeyRSOXCXUATQTTPO-HZPDHXFCSA-N
MW289.42 g/mol
LogP3.38
Rot. Bonds3

About methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate

methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 52943877) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
PubChem CID52943877
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namemethyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CCCCN1
InChIInChI=1S/C18H27NO2/c1-18(2,3)14-10-8-13(9-11-14)16(17(20)21-4)15-7-5-6-12-19-15/h8-11,15-16,19H,5-7,12H2,1-4H3/t15-,16-/m1/s1
InChIKeyRSOXCXUATQTTPO-HZPDHXFCSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate (CID 52943877) is methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate is COC(=O)[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is RSOXCXUATQTTPO-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)14-10-8-13(9-11-14)16(17(20)21-4)15-7-5-6-12-19-15/h8-11,15-16,19H,5-7,12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 289.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 52943877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).