propan-2-yl 4,4-diethylpiperidine-1-carboxylate

C13H25NO2 — CID 116655860

IUPACpropan-2-yl 4,4-diethylpiperidine-1-carboxylate
SMILESCCC1(CC)CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-5-13(6-2)7-9-14(10-8-13)12(15)16-11(3)4/h11H,5-10H2,1-4H3
InChIKeyADQIOWNOGASLDE-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.43
Rot. Bonds3

About propan-2-yl 4,4-diethylpiperidine-1-carboxylate

propan-2-yl 4,4-diethylpiperidine-1-carboxylate (PubChem CID 116655860) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is propan-2-yl 4,4-diethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4,4-diethylpiperidine-1-carboxylate
PubChem CID116655860
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namepropan-2-yl 4,4-diethylpiperidine-1-carboxylate
SMILESCCC1(CC)CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-5-13(6-2)7-9-14(10-8-13)12(15)16-11(3)4/h11H,5-10H2,1-4H3
InChIKeyADQIOWNOGASLDE-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4,4-diethylpiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4,4-diethylpiperidine-1-carboxylate (CID 116655860) is propan-2-yl 4,4-diethylpiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4,4-diethylpiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4,4-diethylpiperidine-1-carboxylate is CCC1(CC)CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4,4-diethylpiperidine-1-carboxylate?
The InChIKey is ADQIOWNOGASLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-13(6-2)7-9-14(10-8-13)12(15)16-11(3)4/h11H,5-10H2,1-4H3.
What are the key properties of propan-2-yl 4,4-diethylpiperidine-1-carboxylate?
propan-2-yl 4,4-diethylpiperidine-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4,4-diethylpiperidine-1-carboxylate is sourced from PubChem (CID 116655860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).