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

Analyze propan-2-yl 4,4-diethylpiperidine-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

1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
N,N,4,4-tetraethylpiperidine-1-carboxamide
CID 116655861
1-(4,4-diethylpiperidin-1-yl)-4-hydroxypentan-1-one
CID 79192492
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate
CID 123731461
1-(4,4-diethylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202240
2-(4-propan-2-yloxycarbonyl-1,4-diazepan-1-yl)acetic acid
CID 55119006
2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163435
methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate
CID 112617445
2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63646841
methyl 2-(4,4-diethylpiperidin-1-yl)propanoate
CID 63158633
5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
CID 113441000

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).