tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate

C18H29N3O2 — CID 103730224

IUPACtert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
SMILESCc1cccc(CNCC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H29N3O2/c1-14-6-5-7-16(20-14)13-19-12-15-8-10-21(11-9-15)17(22)23-18(2,3)4/h5-7,15,19H,8-13H2,1-4H3
InChIKeyKRHOOEACVNKVPP-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.13
Rot. Bonds4

About tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate (PubChem CID 103730224) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
PubChem CID103730224
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
SMILESCc1cccc(CNCC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H29N3O2/c1-14-6-5-7-16(20-14)13-19-12-15-8-10-21(11-9-15)17(22)23-18(2,3)4/h5-7,15,19H,8-13H2,1-4H3
InChIKeyKRHOOEACVNKVPP-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.13
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-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate (CID 103730224) is tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate is Cc1cccc(CNCC2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is KRHOOEACVNKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-6-5-7-16(20-14)13-19-12-15-8-10-21(11-9-15)17(22)23-18(2,3)4/h5-7,15,19H,8-13H2,1-4H3.
What are the key properties of tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate has a molecular weight of 319.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103730224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).