ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate

C17H25NO3 — CID 67084172

IUPACethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate
SMILESCCOC(=O)OC1CNCC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H25NO3/c1-4-20-17(19)21-16-9-15(10-18-11-16)14-7-5-13(6-8-14)12(2)3/h5-8,12,15-16,18H,4,9-11H2,1-3H3
InChIKeyHXMUWIRSRUDMCF-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.43
Rot. Bonds4

About ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate

ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate (PubChem CID 67084172) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate.

Molecular Properties

Compound Nameethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate
PubChem CID67084172
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate
SMILESCCOC(=O)OC1CNCC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H25NO3/c1-4-20-17(19)21-16-9-15(10-18-11-16)14-7-5-13(6-8-14)12(2)3/h5-8,12,15-16,18H,4,9-11H2,1-3H3
InChIKeyHXMUWIRSRUDMCF-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate?
The IUPAC name of ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate (CID 67084172) is ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate.
What is the SMILES notation for ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate?
The canonical SMILES for ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate is CCOC(=O)OC1CNCC(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate?
The InChIKey is HXMUWIRSRUDMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-20-17(19)21-16-9-15(10-18-11-16)14-7-5-13(6-8-14)12(2)3/h5-8,12,15-16,18H,4,9-11H2,1-3H3.
What are the key properties of ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate?
ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate has a molecular weight of 291.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate is sourced from PubChem (CID 67084172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).