butyl 3-piperidin-3-yloxyazetidine-1-carboxylate

C13H24N2O3 — CID 175720147

IUPACbutyl 3-piperidin-3-yloxyazetidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(OC2CCCNC2)C1
InChIInChI=1S/C13H24N2O3/c1-2-3-7-17-13(16)15-9-12(10-15)18-11-5-4-6-14-8-11/h11-12,14H,2-10H2,1H3
InChIKeyRPCHMAUJMFMQKS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.38
Rot. Bonds5

About butyl 3-piperidin-3-yloxyazetidine-1-carboxylate

butyl 3-piperidin-3-yloxyazetidine-1-carboxylate (PubChem CID 175720147) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is butyl 3-piperidin-3-yloxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 3-piperidin-3-yloxyazetidine-1-carboxylate
PubChem CID175720147
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namebutyl 3-piperidin-3-yloxyazetidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(OC2CCCNC2)C1
InChIInChI=1S/C13H24N2O3/c1-2-3-7-17-13(16)15-9-12(10-15)18-11-5-4-6-14-8-11/h11-12,14H,2-10H2,1H3
InChIKeyRPCHMAUJMFMQKS-UHFFFAOYSA-N
XLogP1.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
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 3-piperidin-3-yloxyazetidine-1-carboxylate?
The IUPAC name of butyl 3-piperidin-3-yloxyazetidine-1-carboxylate (CID 175720147) is butyl 3-piperidin-3-yloxyazetidine-1-carboxylate.
What is the SMILES notation for butyl 3-piperidin-3-yloxyazetidine-1-carboxylate?
The canonical SMILES for butyl 3-piperidin-3-yloxyazetidine-1-carboxylate is CCCCOC(=O)N1CC(OC2CCCNC2)C1.
What is the InChIKey of butyl 3-piperidin-3-yloxyazetidine-1-carboxylate?
The InChIKey is RPCHMAUJMFMQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-7-17-13(16)15-9-12(10-15)18-11-5-4-6-14-8-11/h11-12,14H,2-10H2,1H3.
What are the key properties of butyl 3-piperidin-3-yloxyazetidine-1-carboxylate?
butyl 3-piperidin-3-yloxyazetidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-piperidin-3-yloxyazetidine-1-carboxylate is sourced from PubChem (CID 175720147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).