methyl 1-butan-2-ylpiperidine-4-carboxylate

C11H21NO2 — CID 62025947

IUPACmethyl 1-butan-2-ylpiperidine-4-carboxylate
SMILESCCC(C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H21NO2/c1-4-9(2)12-7-5-10(6-8-12)11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWPDQGSJOEMPKGF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About methyl 1-butan-2-ylpiperidine-4-carboxylate

methyl 1-butan-2-ylpiperidine-4-carboxylate (PubChem CID 62025947) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 1-butan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-butan-2-ylpiperidine-4-carboxylate
PubChem CID62025947
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 1-butan-2-ylpiperidine-4-carboxylate
SMILESCCC(C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H21NO2/c1-4-9(2)12-7-5-10(6-8-12)11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWPDQGSJOEMPKGF-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-butan-2-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-butan-2-ylpiperidine-4-carboxylate (CID 62025947) is methyl 1-butan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-butan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-butan-2-ylpiperidine-4-carboxylate is CCC(C)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-butan-2-ylpiperidine-4-carboxylate?
The InChIKey is WPDQGSJOEMPKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9(2)12-7-5-10(6-8-12)11(13)14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 1-butan-2-ylpiperidine-4-carboxylate?
methyl 1-butan-2-ylpiperidine-4-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-butan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 62025947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).