tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine

C17H29N3O2 — CID 174637233

IUPACtert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine
SMILESCC(C)(C)OC=O.Nc1cccc(CCC2CCNCC2)n1
InChIInChI=1S/C12H19N3.C5H10O2/c13-12-3-1-2-11(15-12)5-4-10-6-8-14-9-7-10;1-5(2,3)7-4-6/h1-3,10,14H,4-9H2,(H2,13,15);4H,1-3H3
InChIKeyFKDHARAGXYOSQV-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine

tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine (PubChem CID 174637233) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Nametert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine
PubChem CID174637233
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine
SMILESCC(C)(C)OC=O.Nc1cccc(CCC2CCNCC2)n1
InChIInChI=1S/C12H19N3.C5H10O2/c13-12-3-1-2-11(15-12)5-4-10-6-8-14-9-7-10;1-5(2,3)7-4-6/h1-3,10,14H,4-9H2,(H2,13,15);4H,1-3H3
InChIKeyFKDHARAGXYOSQV-UHFFFAOYSA-N
XLogP2.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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;6-(2-piperidin-4-ylethyl)pyridin-2-amine?
The IUPAC name of tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine (CID 174637233) is tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine is CC(C)(C)OC=O.Nc1cccc(CCC2CCNCC2)n1.
What is the InChIKey of tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine?
The InChIKey is FKDHARAGXYOSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.C5H10O2/c13-12-3-1-2-11(15-12)5-4-10-6-8-14-9-7-10;1-5(2,3)7-4-6/h1-3,10,14H,4-9H2,(H2,13,15);4H,1-3H3.
What are the key properties of tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine?
tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine has a molecular weight of 307.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;6-(2-piperidin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 174637233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).