(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate

C18H31NO2 — CID 114430095

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate
SMILESCCC1CCNC(C(=O)OC2CC3CCC2(C)C3(C)C)C1
InChIInChI=1S/C18H31NO2/c1-5-12-7-9-19-14(10-12)16(20)21-15-11-13-6-8-18(15,4)17(13,2)3/h12-15,19H,5-11H2,1-4H3
InChIKeyXYJYIRGKGDBHDQ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.52
Rot. Bonds3

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate (PubChem CID 114430095) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate
PubChem CID114430095
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate
SMILESCCC1CCNC(C(=O)OC2CC3CCC2(C)C3(C)C)C1
InChIInChI=1S/C18H31NO2/c1-5-12-7-9-19-14(10-12)16(20)21-15-11-13-6-8-18(15,4)17(13,2)3/h12-15,19H,5-11H2,1-4H3
InChIKeyXYJYIRGKGDBHDQ-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide
CID 114428205
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate
CID 140960699
bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) hexanedioate
CID 18003095
[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-chloroacetate
CID 46738620
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen carbonate
CID 137480256
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 66836214
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 6950273
3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propanoic acid
CID 917424
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-cycloheptylacetate
CID 114458340
[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 123733443
dimethyl-[2-oxo-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-oxo-2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 25425263
trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 19915989

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate (CID 114430095) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate is CCC1CCNC(C(=O)OC2CC3CCC2(C)C3(C)C)C1.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate?
The InChIKey is XYJYIRGKGDBHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-12-7-9-19-14(10-12)16(20)21-15-11-13-6-8-18(15,4)17(13,2)3/h12-15,19H,5-11H2,1-4H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate has a molecular weight of 293.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-ethylpiperidine-2-carboxylate is sourced from PubChem (CID 114430095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).