2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate

C21H33NO2 — CID 170530183

IUPAC2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)C1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C21H33NO2/c1-21(2,24-20(23)22-8-4-3-5-9-22)17-12-15-11-16(17)19-14-7-6-13(10-14)18(15)19/h13-19H,3-12H2,1-2H3
InChIKeyRMEJKMNZPJOBIJ-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.71
Rot. Bonds2

About 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate

2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate (PubChem CID 170530183) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate
PubChem CID170530183
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)C1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C21H33NO2/c1-21(2,24-20(23)22-8-4-3-5-9-22)17-12-15-11-16(17)19-14-7-6-13(10-14)18(15)19/h13-19H,3-12H2,1-2H3
InChIKeyRMEJKMNZPJOBIJ-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate
CID 170530096
2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate
CID 170530088
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
CID 170530193
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
1,1-bis(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethyl prop-2-enoate
CID 91159013
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172810927
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate
CID 170530031
(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate
CID 170530264
(2-methyl-4-oxopentan-2-yl) piperidine-1-carboxylate
CID 70112881

Frequently Asked Questions

What is the IUPAC name of 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate?
The IUPAC name of 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate (CID 170530183) is 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate.
What is the SMILES notation for 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate?
The canonical SMILES for 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate is CC(C)(OC(=O)N1CCCCC1)C1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate?
The InChIKey is RMEJKMNZPJOBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-21(2,24-20(23)22-8-4-3-5-9-22)17-12-15-11-16(17)19-14-7-6-13(10-14)18(15)19/h13-19H,3-12H2,1-2H3.
What are the key properties of 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate?
2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate has a molecular weight of 331.50 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 170530183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).