2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate

C19H31NO2 — CID 170530088

IUPAC2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)C1CC2CC1C1CCCC21
InChIInChI=1S/C19H31NO2/c1-19(2,22-18(21)20-9-4-3-5-10-20)17-12-13-11-16(17)15-8-6-7-14(13)15/h13-17H,3-12H2,1-2H3
InChIKeyOFPMZKBRPBGQDZ-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.46
Rot. Bonds2

About 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate

2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate (PubChem CID 170530088) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate
PubChem CID170530088
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)C1CC2CC1C1CCCC21
InChIInChI=1S/C19H31NO2/c1-19(2,22-18(21)20-9-4-3-5-10-20)17-12-13-11-16(17)15-8-6-7-14(13)15/h13-17H,3-12H2,1-2H3
InChIKeyOFPMZKBRPBGQDZ-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate
CID 170530183
2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate
CID 22898239
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
CID 170530193
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate
CID 170530096
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
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
(2-methyl-4-oxopentan-2-yl) piperidine-1-carboxylate
CID 70112881
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632

Frequently Asked Questions

What is the IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate?
The IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate (CID 170530088) is 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate.
What is the SMILES notation for 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate?
The canonical SMILES for 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate is CC(C)(OC(=O)N1CCCCC1)C1CC2CC1C1CCCC21.
What is the InChIKey of 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate?
The InChIKey is OFPMZKBRPBGQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-19(2,22-18(21)20-9-4-3-5-10-20)17-12-13-11-16(17)15-8-6-7-14(13)15/h13-17H,3-12H2,1-2H3.
What are the key properties of 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate?
2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate has a molecular weight of 305.46 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 170530088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).