2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate

C18H33NO2 — CID 155075592

IUPAC2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)C1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C18H33NO2/c1-13(2)14-5-7-15(8-6-14)17(20)21-18(3,4)16-9-11-19-12-10-16/h13-16,19H,5-12H2,1-4H3
InChIKeyXXMOBXFPOLJMQT-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.77
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate

2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 155075592) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate
PubChem CID155075592
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)C1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C18H33NO2/c1-13(2)14-5-7-15(8-6-14)17(20)21-18(3,4)16-9-11-19-12-10-16/h13-16,19H,5-12H2,1-4H3
InChIKeyXXMOBXFPOLJMQT-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate (CID 155075592) is 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate is CC(C)C1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is XXMOBXFPOLJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-13(2)14-5-7-15(8-6-14)17(20)21-18(3,4)16-9-11-19-12-10-16/h13-16,19H,5-12H2,1-4H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate?
2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 4-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 155075592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).