aniline;tert-butyl piperidine-1-carboxylate

C16H26N2O2 — CID 142463276

IUPACaniline;tert-butyl piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1.Nc1ccccc1
InChIInChI=1S/C10H19NO2.C6H7N/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;7-6-4-2-1-3-5-6/h4-8H2,1-3H3;1-5H,7H2
InChIKeyNCISPSDWWWOTDA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.68
Rot. Bonds

About aniline;tert-butyl piperidine-1-carboxylate

aniline;tert-butyl piperidine-1-carboxylate (PubChem CID 142463276) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is aniline;tert-butyl piperidine-1-carboxylate.

Molecular Properties

Compound Nameaniline;tert-butyl piperidine-1-carboxylate
PubChem CID142463276
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameaniline;tert-butyl piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1.Nc1ccccc1
InChIInChI=1S/C10H19NO2.C6H7N/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;7-6-4-2-1-3-5-6/h4-8H2,1-3H3;1-5H,7H2
InChIKeyNCISPSDWWWOTDA-UHFFFAOYSA-N
XLogP3.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;tert-butyl piperidine-1-carboxylate?
The IUPAC name of aniline;tert-butyl piperidine-1-carboxylate (CID 142463276) is aniline;tert-butyl piperidine-1-carboxylate.
What is the SMILES notation for aniline;tert-butyl piperidine-1-carboxylate?
The canonical SMILES for aniline;tert-butyl piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1.Nc1ccccc1.
What is the InChIKey of aniline;tert-butyl piperidine-1-carboxylate?
The InChIKey is NCISPSDWWWOTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C6H7N/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;7-6-4-2-1-3-5-6/h4-8H2,1-3H3;1-5H,7H2.
What are the key properties of aniline;tert-butyl piperidine-1-carboxylate?
aniline;tert-butyl piperidine-1-carboxylate has a molecular weight of 278.40 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;tert-butyl piperidine-1-carboxylate is sourced from PubChem (CID 142463276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).