ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate

C13H25NO2 — CID 66671220

IUPACethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC(C)C)CCN(C)CC1
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)13(10-11(2)3)6-8-14(4)9-7-13/h11H,5-10H2,1-4H3
InChIKeyURTQEMNCYPEUMJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds4

About ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate

ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate (PubChem CID 66671220) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate
PubChem CID66671220
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC(C)C)CCN(C)CC1
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)13(10-11(2)3)6-8-14(4)9-7-13/h11H,5-10H2,1-4H3
InChIKeyURTQEMNCYPEUMJ-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate (CID 66671220) is ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate is CCOC(=O)C1(CC(C)C)CCN(C)CC1.
What is the InChIKey of ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate?
The InChIKey is URTQEMNCYPEUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-16-12(15)13(10-11(2)3)6-8-14(4)9-7-13/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate?
ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate is sourced from PubChem (CID 66671220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).