octyl N-piperidin-3-ylcarbamate

C14H28N2O2 — CID 66861057

IUPACoctyl N-piperidin-3-ylcarbamate
SMILESCCCCCCCCOC(=O)NC1CCCNC1
InChIInChI=1S/C14H28N2O2/c1-2-3-4-5-6-7-11-18-14(17)16-13-9-8-10-15-12-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyAPZASKWCMFYLHA-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.83
Rot. Bonds8

About octyl N-piperidin-3-ylcarbamate

octyl N-piperidin-3-ylcarbamate (PubChem CID 66861057) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is octyl N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Nameoctyl N-piperidin-3-ylcarbamate
PubChem CID66861057
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameoctyl N-piperidin-3-ylcarbamate
SMILESCCCCCCCCOC(=O)NC1CCCNC1
InChIInChI=1S/C14H28N2O2/c1-2-3-4-5-6-7-11-18-14(17)16-13-9-8-10-15-12-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyAPZASKWCMFYLHA-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
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 octyl N-piperidin-3-ylcarbamate?
The IUPAC name of octyl N-piperidin-3-ylcarbamate (CID 66861057) is octyl N-piperidin-3-ylcarbamate.
What is the SMILES notation for octyl N-piperidin-3-ylcarbamate?
The canonical SMILES for octyl N-piperidin-3-ylcarbamate is CCCCCCCCOC(=O)NC1CCCNC1.
What is the InChIKey of octyl N-piperidin-3-ylcarbamate?
The InChIKey is APZASKWCMFYLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-3-4-5-6-7-11-18-14(17)16-13-9-8-10-15-12-13/h13,15H,2-12H2,1H3,(H,16,17).
What are the key properties of octyl N-piperidin-3-ylcarbamate?
octyl N-piperidin-3-ylcarbamate has a molecular weight of 256.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-piperidin-3-ylcarbamate is sourced from PubChem (CID 66861057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).