tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate

C19H33NO5 — CID 71077858

IUPACtert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate
SMILESCCOC(=O)C1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H33NO5/c1-5-23-17(21)14-6-8-15(9-7-14)24-16-10-12-20(13-11-16)18(22)25-19(2,3)4/h14-16H,5-13H2,1-4H3
InChIKeyAOKIGJTYPNKDJL-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.52
Rot. Bonds4

About tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate

tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate (PubChem CID 71077858) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate
PubChem CID71077858
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Nametert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate
SMILESCCOC(=O)C1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H33NO5/c1-5-23-17(21)14-6-8-15(9-7-14)24-16-10-12-20(13-11-16)18(22)25-19(2,3)4/h14-16H,5-13H2,1-4H3
InChIKeyAOKIGJTYPNKDJL-UHFFFAOYSA-N
XLogP3.52
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate (CID 71077858) is tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate is CCOC(=O)C1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate?
The InChIKey is AOKIGJTYPNKDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO5/c1-5-23-17(21)14-6-8-15(9-7-14)24-16-10-12-20(13-11-16)18(22)25-19(2,3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate?
tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate has a molecular weight of 355.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-ethoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 71077858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).