tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen

C16H27FN2O2 — CID 142818280

IUPACtert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
SMILESCC(C)(C)OC=O.Fc1ccc(NC2CCNCC2)cc1.[H][H]
InChIInChI=1S/C11H15FN2.C5H10O2.H2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;1-5(2,3)7-4-6;/h1-4,11,13-14H,5-8H2;4H,1-3H3;1H
InChIKeyOLZQNXGNQZYDRY-UHFFFAOYSA-N
MW298.40 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen

tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen (PubChem CID 142818280) has the molecular formula C16H27FN2O2 and a molecular weight of 298.40 g/mol. Its IUPAC name is tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
PubChem CID142818280
Molecular FormulaC16H27FN2O2
Molecular Weight298.40 g/mol
Exact Mass298.21
IUPAC Nametert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
SMILESCC(C)(C)OC=O.Fc1ccc(NC2CCNCC2)cc1.[H][H]
InChIInChI=1S/C11H15FN2.C5H10O2.H2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;1-5(2,3)7-4-6;/h1-4,11,13-14H,5-8H2;4H,1-3H3;1H
InChIKeyOLZQNXGNQZYDRY-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen?
The IUPAC name of tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen (CID 142818280) is tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen.
What is the SMILES notation for tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen?
The canonical SMILES for tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen is CC(C)(C)OC=O.Fc1ccc(NC2CCNCC2)cc1.[H][H].
What is the InChIKey of tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen?
The InChIKey is OLZQNXGNQZYDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2.C5H10O2.H2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;1-5(2,3)7-4-6;/h1-4,11,13-14H,5-8H2;4H,1-3H3;1H.
What are the key properties of tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen?
tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen has a molecular weight of 298.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 142818280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).