(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate

C13H24N2O2 — CID 175439126

IUPAC(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
SMILESCC(C)(CC1CCNCC1)OC(=O)N1CCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,10-11-4-6-14-7-5-11)17-12(16)15-8-3-9-15/h11,14H,3-10H2,1-2H3
InChIKeyWOIJDXWENNWIKB-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds3

About (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate

(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate (PubChem CID 175439126) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
PubChem CID175439126
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
SMILESCC(C)(CC1CCNCC1)OC(=O)N1CCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,10-11-4-6-14-7-5-11)17-12(16)15-8-3-9-15/h11,14H,3-10H2,1-2H3
InChIKeyWOIJDXWENNWIKB-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657
(1-amino-2-methylpropan-2-yl) 1,4-diazepane-1-carboxylate
CID 154966126
(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
CID 174531197
CID 91238325
CID 91238325
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
CID 58808171
(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
CID 70917063
tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate
CID 168999917
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl (2S)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate
CID 155822623
tert-butyl (2R)-2-(2-piperidin-4-ylethyl)pyrrolidine-1-carboxylate
CID 155820775
tert-butyl 4-hydroxy-4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
CID 171485202

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate?
The IUPAC name of (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate (CID 175439126) is (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate.
What is the SMILES notation for (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate?
The canonical SMILES for (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate is CC(C)(CC1CCNCC1)OC(=O)N1CCC1.
What is the InChIKey of (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate?
The InChIKey is WOIJDXWENNWIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,10-11-4-6-14-7-5-11)17-12(16)15-8-3-9-15/h11,14H,3-10H2,1-2H3.
What are the key properties of (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate?
(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate is sourced from PubChem (CID 175439126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).