tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate

C16H25N3O2 — CID 67168439

IUPACtert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1cc(N)ncc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H25N3O2/c1-11-9-14(17)18-10-13(11)12-5-7-19(8-6-12)15(20)21-16(2,3)4/h9-10,12H,5-8H2,1-4H3,(H2,17,18)
InChIKeyQGMUPLQDJNTZMG-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.09
Rot. Bonds1

About tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 67168439) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate
PubChem CID67168439
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1cc(N)ncc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H25N3O2/c1-11-9-14(17)18-10-13(11)12-5-7-19(8-6-12)15(20)21-16(2,3)4/h9-10,12H,5-8H2,1-4H3,(H2,17,18)
InChIKeyQGMUPLQDJNTZMG-UHFFFAOYSA-N
XLogP3.09
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate (CID 67168439) is tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate is Cc1cc(N)ncc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is QGMUPLQDJNTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-9-14(17)18-10-13(11)12-5-7-19(8-6-12)15(20)21-16(2,3)4/h9-10,12H,5-8H2,1-4H3,(H2,17,18).
What are the key properties of tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 67168439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).