butyl piperidin-2-yl carbonate

C10H19NO3 — CID 54057815

IUPACbutyl piperidin-2-yl carbonate
SMILESCCCCOC(=O)OC1CCCCN1
InChIInChI=1S/C10H19NO3/c1-2-3-8-13-10(12)14-9-6-4-5-7-11-9/h9,11H,2-8H2,1H3
InChIKeyGHTSGCRPSVCLJZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.04
Rot. Bonds4

About butyl piperidin-2-yl carbonate

butyl piperidin-2-yl carbonate (PubChem CID 54057815) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is butyl piperidin-2-yl carbonate.

Molecular Properties

Compound Namebutyl piperidin-2-yl carbonate
PubChem CID54057815
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namebutyl piperidin-2-yl carbonate
SMILESCCCCOC(=O)OC1CCCCN1
InChIInChI=1S/C10H19NO3/c1-2-3-8-13-10(12)14-9-6-4-5-7-11-9/h9,11H,2-8H2,1H3
InChIKeyGHTSGCRPSVCLJZ-UHFFFAOYSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.04
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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Related Compounds

hexyl pyrrolidin-2-yl carbonate
CID 54505278
butyl (2S)-piperidine-2-carboxylate
CID 54130362
piperidin-2-yl octadecanoate
CID 54524837
nonan-2-yl piperidin-2-yl carbonate
CID 54506928
octyl (2R)-piperidine-2-carboxylate
CID 11096763
hexyl azocane-2-carboxylate
CID 114239843
nonan-3-yl pyrrolidin-2-yl carbonate
CID 54338103
[(2R)-pyrrolidin-2-yl] butanoate
CID 45090959
[(2S)-pyrrolidin-2-yl] butanoate
CID 45090958
butyl N-methyl-N-pyrrolidin-2-ylcarbamate
CID 66820260
ethyl 2-piperidin-2-yloxyacetate
CID 68921876
propyl piperidine-2-carboxylate
CID 43248024

Frequently Asked Questions

What is the IUPAC name of butyl piperidin-2-yl carbonate?
The IUPAC name of butyl piperidin-2-yl carbonate (CID 54057815) is butyl piperidin-2-yl carbonate.
What is the SMILES notation for butyl piperidin-2-yl carbonate?
The canonical SMILES for butyl piperidin-2-yl carbonate is CCCCOC(=O)OC1CCCCN1.
What is the InChIKey of butyl piperidin-2-yl carbonate?
The InChIKey is GHTSGCRPSVCLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-8-13-10(12)14-9-6-4-5-7-11-9/h9,11H,2-8H2,1H3.
What are the key properties of butyl piperidin-2-yl carbonate?
butyl piperidin-2-yl carbonate has a molecular weight of 201.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl piperidin-2-yl carbonate is sourced from PubChem (CID 54057815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).