(2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate

C16H23NO2 — CID 147673547

IUPAC(2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCCCC2)C2CC34CC2CC31C4
InChIInChI=1S/C16H23NO2/c1-14(19-13(18)17-5-3-2-4-6-17)12-9-15-7-11(12)8-16(14,15)10-15/h11-12H,2-10H2,1H3
InChIKeyGNRZXEFCXOMGGQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.19
Rot. Bonds1

About (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate

(2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate (PubChem CID 147673547) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate
PubChem CID147673547
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCCCC2)C2CC34CC2CC31C4
InChIInChI=1S/C16H23NO2/c1-14(19-13(18)17-5-3-2-4-6-17)12-9-15-7-11(12)8-16(14,15)10-15/h11-12H,2-10H2,1H3
InChIKeyGNRZXEFCXOMGGQ-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate with MolForge

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Related Compounds

(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate
CID 170530264
(2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate
CID 170530064
[3-(2,2-dimethylbutanoyloxy)-1-adamantyl] pyrrolidine-1-carboxylate
CID 67967638
piperidine-1-carboperoxoic acid
CID 18434275
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
CID 158772757
(1-methylcycloundecyl) 4,4-dimethylazepane-1-carboxylate
CID 155468911
ethyl azacycloundecane-1-carboxylate
CID 67670496
(1-acetylcyclopropyl) azetidine-1-carboxylate
CID 126560673
[1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate
CID 143037581
(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
CID 118050079
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
N-(2,2-dimethylcyclopropyl)piperidine-1-carboxamide
CID 115590465

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate?
The IUPAC name of (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate (CID 147673547) is (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate is CC1(OC(=O)N2CCCCC2)C2CC34CC2CC31C4.
What is the InChIKey of (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate?
The InChIKey is GNRZXEFCXOMGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-14(19-13(18)17-5-3-2-4-6-17)12-9-15-7-11(12)8-16(14,15)10-15/h11-12H,2-10H2,1H3.
What are the key properties of (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate?
(2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate has a molecular weight of 261.36 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate is sourced from PubChem (CID 147673547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).