tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate

C17H27N3O2 — CID 102540049

IUPACtert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate
SMILESCCNc1ccc(C2CCCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H27N3O2/c1-5-18-15-10-9-13(12-19-15)14-8-6-7-11-20(14)16(21)22-17(2,3)4/h9-10,12,14H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyPTQBSVDEBVNJFT-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate

tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 102540049) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate
PubChem CID102540049
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate
SMILESCCNc1ccc(C2CCCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H27N3O2/c1-5-18-15-10-9-13(12-19-15)14-8-6-7-11-20(14)16(21)22-17(2,3)4/h9-10,12,14H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyPTQBSVDEBVNJFT-UHFFFAOYSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate (CID 102540049) is tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate is CCNc1ccc(C2CCCCN2C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is PTQBSVDEBVNJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-18-15-10-9-13(12-19-15)14-8-6-7-11-20(14)16(21)22-17(2,3)4/h9-10,12,14H,5-8,11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate?
tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 102540049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).