2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate

C16H27NO2 — CID 170530193

IUPAC2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H27NO2/c1-16(2,14-11-12-6-7-13(14)10-12)19-15(18)17-8-4-3-5-9-17/h12-14H,3-11H2,1-2H3
InChIKeyHMOXTJGQYOUCBL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.82
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate

2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate (PubChem CID 170530193) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
PubChem CID170530193
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H27NO2/c1-16(2,14-11-12-6-7-13(14)10-12)19-15(18)17-8-4-3-5-9-17/h12-14H,3-11H2,1-2H3
InChIKeyHMOXTJGQYOUCBL-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 piperidine-1-carboxylate
CID 170530088
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane
CID 123922780
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate
CID 170530096
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate
CID 170530031
(2-methyl-4-oxopentan-2-yl) piperidine-1-carboxylate
CID 70112881
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate (CID 170530193) is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate is CC(C)(OC(=O)N1CCCCC1)C1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate?
The InChIKey is HMOXTJGQYOUCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2,14-11-12-6-7-13(14)10-12)19-15(18)17-8-4-3-5-9-17/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate?
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate has a molecular weight of 265.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 170530193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).