butyl 4-aminopiperidine-4-carboxylate

C10H20N2O2 — CID 3044669

IUPACbutyl 4-aminopiperidine-4-carboxylate
SMILESCCCCOC(=O)C1(N)CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-3-8-14-9(13)10(11)4-6-12-7-5-10/h12H,2-8,11H2,1H3
InChIKeyUOLCASZZOFSDHL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.41
Rot. Bonds4

About butyl 4-aminopiperidine-4-carboxylate

butyl 4-aminopiperidine-4-carboxylate (PubChem CID 3044669) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl 4-aminopiperidine-4-carboxylate.

Molecular Properties

Compound Namebutyl 4-aminopiperidine-4-carboxylate
PubChem CID3044669
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namebutyl 4-aminopiperidine-4-carboxylate
SMILESCCCCOC(=O)C1(N)CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-3-8-14-9(13)10(11)4-6-12-7-5-10/h12H,2-8,11H2,1H3
InChIKeyUOLCASZZOFSDHL-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 4-aminopiperidine-4-carboxylate?
The IUPAC name of butyl 4-aminopiperidine-4-carboxylate (CID 3044669) is butyl 4-aminopiperidine-4-carboxylate.
What is the SMILES notation for butyl 4-aminopiperidine-4-carboxylate?
The canonical SMILES for butyl 4-aminopiperidine-4-carboxylate is CCCCOC(=O)C1(N)CCNCC1.
What is the InChIKey of butyl 4-aminopiperidine-4-carboxylate?
The InChIKey is UOLCASZZOFSDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-8-14-9(13)10(11)4-6-12-7-5-10/h12H,2-8,11H2,1H3.
What are the key properties of butyl 4-aminopiperidine-4-carboxylate?
butyl 4-aminopiperidine-4-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-aminopiperidine-4-carboxylate is sourced from PubChem (CID 3044669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).