hexyl N-piperidin-3-ylcarbamate

C12H24N2O2 — CID 66861349

IUPAChexyl N-piperidin-3-ylcarbamate
SMILESCCCCCCOC(=O)NC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-9-16-12(15)14-11-7-6-8-13-10-11/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyNVBVDTIJLINEDT-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.04
Rot. Bonds6

About hexyl N-piperidin-3-ylcarbamate

hexyl N-piperidin-3-ylcarbamate (PubChem CID 66861349) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is hexyl N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Namehexyl N-piperidin-3-ylcarbamate
PubChem CID66861349
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namehexyl N-piperidin-3-ylcarbamate
SMILESCCCCCCOC(=O)NC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-9-16-12(15)14-11-7-6-8-13-10-11/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyNVBVDTIJLINEDT-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.04
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 hexyl N-piperidin-3-ylcarbamate?
The IUPAC name of hexyl N-piperidin-3-ylcarbamate (CID 66861349) is hexyl N-piperidin-3-ylcarbamate.
What is the SMILES notation for hexyl N-piperidin-3-ylcarbamate?
The canonical SMILES for hexyl N-piperidin-3-ylcarbamate is CCCCCCOC(=O)NC1CCCNC1.
What is the InChIKey of hexyl N-piperidin-3-ylcarbamate?
The InChIKey is NVBVDTIJLINEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-5-9-16-12(15)14-11-7-6-8-13-10-11/h11,13H,2-10H2,1H3,(H,14,15).
What are the key properties of hexyl N-piperidin-3-ylcarbamate?
hexyl N-piperidin-3-ylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-piperidin-3-ylcarbamate is sourced from PubChem (CID 66861349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).