tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate

C18H26ClNO3 — CID 66757895

IUPACtert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)CCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClNO3/c1-5-13-12-20(16(21)23-17(2,3)4)11-10-18(13,22)14-6-8-15(19)9-7-14/h6-9,13,22H,5,10-12H2,1-4H3
InChIKeyHUWPBSNKLFBGPS-UHFFFAOYSA-N
MW339.86 g/mol
LogP4.19
Rot. Bonds2

About tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate (PubChem CID 66757895) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate
PubChem CID66757895
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Nametert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)CCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClNO3/c1-5-13-12-20(16(21)23-17(2,3)4)11-10-18(13,22)14-6-8-15(19)9-7-14/h6-9,13,22H,5,10-12H2,1-4H3
InChIKeyHUWPBSNKLFBGPS-UHFFFAOYSA-N
XLogP4.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate (CID 66757895) is tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate is CCC1CN(C(=O)OC(C)(C)C)CCC1(O)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate?
The InChIKey is HUWPBSNKLFBGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-5-13-12-20(16(21)23-17(2,3)4)11-10-18(13,22)14-6-8-15(19)9-7-14/h6-9,13,22H,5,10-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate has a molecular weight of 339.86 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 66757895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).