cycloheptyl (2R)-piperidine-2-carboxylate

C13H23NO2 — CID 79034969

IUPACcycloheptyl (2R)-piperidine-2-carboxylate
SMILESO=C(OC1CCCCCC1)[C@H]1CCCCN1
InChIInChI=1S/C13H23NO2/c15-13(12-9-5-6-10-14-12)16-11-7-3-1-2-4-8-11/h11-12,14H,1-10H2/t12-/m1/s1
InChIKeyLJIYQSPHPMVJCM-GFCCVEGCSA-N
MW225.33 g/mol
LogP2.39
Rot. Bonds2

About cycloheptyl (2R)-piperidine-2-carboxylate

cycloheptyl (2R)-piperidine-2-carboxylate (PubChem CID 79034969) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cycloheptyl (2R)-piperidine-2-carboxylate.

Molecular Properties

Compound Namecycloheptyl (2R)-piperidine-2-carboxylate
PubChem CID79034969
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecycloheptyl (2R)-piperidine-2-carboxylate
SMILESO=C(OC1CCCCCC1)[C@H]1CCCCN1
InChIInChI=1S/C13H23NO2/c15-13(12-9-5-6-10-14-12)16-11-7-3-1-2-4-8-11/h11-12,14H,1-10H2/t12-/m1/s1
InChIKeyLJIYQSPHPMVJCM-GFCCVEGCSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cycloheptyl (2R)-piperidine-2-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

cycloheptyl azetidine-2-carboxylate
CID 131025825
(3,5-dimethylcyclohexyl) piperidine-2-carboxylate
CID 64732036
(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate
CID 79034769
aminomethyl piperidine-2-carboxylate
CID 152636457
cyclopentyl thiomorpholine-3-carboxylate
CID 82904457
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
cyclooctyl cyclooctanecarboxylate
CID 57160377
(3,3,5-trimethylcyclohexyl) azepane-2-carboxylate
CID 64563078
azacyclohenicosane-2-carboxylic acid
CID 22341743
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895

Frequently Asked Questions

What is the IUPAC name of cycloheptyl (2R)-piperidine-2-carboxylate?
The IUPAC name of cycloheptyl (2R)-piperidine-2-carboxylate (CID 79034969) is cycloheptyl (2R)-piperidine-2-carboxylate.
What is the SMILES notation for cycloheptyl (2R)-piperidine-2-carboxylate?
The canonical SMILES for cycloheptyl (2R)-piperidine-2-carboxylate is O=C(OC1CCCCCC1)[C@H]1CCCCN1.
What is the InChIKey of cycloheptyl (2R)-piperidine-2-carboxylate?
The InChIKey is LJIYQSPHPMVJCM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(12-9-5-6-10-14-12)16-11-7-3-1-2-4-8-11/h11-12,14H,1-10H2/t12-/m1/s1.
What are the key properties of cycloheptyl (2R)-piperidine-2-carboxylate?
cycloheptyl (2R)-piperidine-2-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl (2R)-piperidine-2-carboxylate is sourced from PubChem (CID 79034969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).