butyl 4-aminopiperidine-1-carboxylate

C10H20N2O2 — CID 23025360

IUPACbutyl 4-aminopiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-2-3-8-14-10(13)12-6-4-9(11)5-7-12/h9H,2-8,11H2,1H3
InChIKeyHMDBMDJJDOEYHK-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.35
Rot. Bonds3

About butyl 4-aminopiperidine-1-carboxylate

butyl 4-aminopiperidine-1-carboxylate (PubChem CID 23025360) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl 4-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-aminopiperidine-1-carboxylate
PubChem CID23025360
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namebutyl 4-aminopiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-2-3-8-14-10(13)12-6-4-9(11)5-7-12/h9H,2-8,11H2,1H3
InChIKeyHMDBMDJJDOEYHK-UHFFFAOYSA-N
XLogP1.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1-carboxylate?
The IUPAC name of butyl 4-aminopiperidine-1-carboxylate (CID 23025360) is butyl 4-aminopiperidine-1-carboxylate.
What is the SMILES notation for butyl 4-aminopiperidine-1-carboxylate?
The canonical SMILES for butyl 4-aminopiperidine-1-carboxylate is CCCCOC(=O)N1CCC(N)CC1.
What is the InChIKey of butyl 4-aminopiperidine-1-carboxylate?
The InChIKey is HMDBMDJJDOEYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-8-14-10(13)12-6-4-9(11)5-7-12/h9H,2-8,11H2,1H3.
What are the key properties of butyl 4-aminopiperidine-1-carboxylate?
butyl 4-aminopiperidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-aminopiperidine-1-carboxylate is sourced from PubChem (CID 23025360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).