cyclopropyl 4,4-dimethylpiperidine-1-carboxylate

C11H19NO2 — CID 165444759

IUPACcyclopropyl 4,4-dimethylpiperidine-1-carboxylate
SMILESCC1(C)CCN(C(=O)OC2CC2)CC1
InChIInChI=1S/C11H19NO2/c1-11(2)5-7-12(8-6-11)10(13)14-9-3-4-9/h9H,3-8H2,1-2H3
InChIKeyCYKYLLJHDYYLTC-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.41
Rot. Bonds1

About cyclopropyl 4,4-dimethylpiperidine-1-carboxylate

cyclopropyl 4,4-dimethylpiperidine-1-carboxylate (PubChem CID 165444759) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cyclopropyl 4,4-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl 4,4-dimethylpiperidine-1-carboxylate
PubChem CID165444759
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecyclopropyl 4,4-dimethylpiperidine-1-carboxylate
SMILESCC1(C)CCN(C(=O)OC2CC2)CC1
InChIInChI=1S/C11H19NO2/c1-11(2)5-7-12(8-6-11)10(13)14-9-3-4-9/h9H,3-8H2,1-2H3
InChIKeyCYKYLLJHDYYLTC-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 4,4-dimethylpiperidine-1-carboxylate?
The IUPAC name of cyclopropyl 4,4-dimethylpiperidine-1-carboxylate (CID 165444759) is cyclopropyl 4,4-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for cyclopropyl 4,4-dimethylpiperidine-1-carboxylate?
The canonical SMILES for cyclopropyl 4,4-dimethylpiperidine-1-carboxylate is CC1(C)CCN(C(=O)OC2CC2)CC1.
What is the InChIKey of cyclopropyl 4,4-dimethylpiperidine-1-carboxylate?
The InChIKey is CYKYLLJHDYYLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)5-7-12(8-6-11)10(13)14-9-3-4-9/h9H,3-8H2,1-2H3.
What are the key properties of cyclopropyl 4,4-dimethylpiperidine-1-carboxylate?
cyclopropyl 4,4-dimethylpiperidine-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 4,4-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 165444759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).