tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate

C16H27NO3 — CID 67529254

IUPACtert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2C=CCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-16(2,3)20-15(18)17-11-9-14(10-12-17)19-13-7-5-4-6-8-13/h5,7,13-14H,4,6,8-12H2,1-3H3
InChIKeyBXZGKUMSXWHNOY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.51
Rot. Bonds2

About tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate

tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate (PubChem CID 67529254) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate
PubChem CID67529254
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2C=CCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-16(2,3)20-15(18)17-11-9-14(10-12-17)19-13-7-5-4-6-8-13/h5,7,13-14H,4,6,8-12H2,1-3H3
InChIKeyBXZGKUMSXWHNOY-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.51
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-cyclohex-2-en-1-yloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate (CID 67529254) is tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC2C=CCCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate?
The InChIKey is BXZGKUMSXWHNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,3)20-15(18)17-11-9-14(10-12-17)19-13-7-5-4-6-8-13/h5,7,13-14H,4,6,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate?
tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohex-2-en-1-yloxypiperidine-1-carboxylate is sourced from PubChem (CID 67529254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).