tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate

C19H33NO3 — CID 67596912

IUPACtert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
SMILESC=CC1CCC(OCC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H33NO3/c1-5-15-6-8-17(9-7-15)22-14-16-10-12-20(13-11-16)18(21)23-19(2,3)4/h5,15-17H,1,6-14H2,2-4H3
InChIKeyRINRDTAGZGRFFE-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.39
Rot. Bonds4

About tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate (PubChem CID 67596912) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
PubChem CID67596912
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Nametert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
SMILESC=CC1CCC(OCC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H33NO3/c1-5-15-6-8-17(9-7-15)22-14-16-10-12-20(13-11-16)18(21)23-19(2,3)4/h5,15-17H,1,6-14H2,2-4H3
InChIKeyRINRDTAGZGRFFE-UHFFFAOYSA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate (CID 67596912) is tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate is C=CC1CCC(OCC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
The InChIKey is RINRDTAGZGRFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-5-15-6-8-17(9-7-15)22-14-16-10-12-20(13-11-16)18(21)23-19(2,3)4/h5,15-17H,1,6-14H2,2-4H3.
What are the key properties of tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67596912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).