tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde

C15H24N2O3 — CID 175496203

IUPACtert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde
SMILESCC(C)(C)OC(=O)N1CCCCC1.O=Cc1ccc[nH]1
InChIInChI=1S/C10H19NO2.C5H5NO/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;7-4-5-2-1-3-6-5/h4-8H2,1-3H3;1-4,6H
InChIKeyHXZBTIFXNKKUQU-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.23
Rot. Bonds1

About tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde

tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde (PubChem CID 175496203) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Nametert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde
PubChem CID175496203
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde
SMILESCC(C)(C)OC(=O)N1CCCCC1.O=Cc1ccc[nH]1
InChIInChI=1S/C10H19NO2.C5H5NO/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;7-4-5-2-1-3-6-5/h4-8H2,1-3H3;1-4,6H
InChIKeyHXZBTIFXNKKUQU-UHFFFAOYSA-N
XLogP3.23
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde?
The IUPAC name of tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde (CID 175496203) is tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde?
The canonical SMILES for tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde is CC(C)(C)OC(=O)N1CCCCC1.O=Cc1ccc[nH]1.
What is the InChIKey of tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde?
The InChIKey is HXZBTIFXNKKUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C5H5NO/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;7-4-5-2-1-3-6-5/h4-8H2,1-3H3;1-4,6H.
What are the key properties of tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde?
tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde has a molecular weight of 280.37 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 175496203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).