tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate

C17H27N3O2 — CID 67272176

IUPACtert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
SMILESCc1cccnc1CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-13-6-5-9-18-15(13)12-19-14-7-10-20(11-8-14)16(21)22-17(2,3)4/h5-6,9,14,19H,7-8,10-12H2,1-4H3
InChIKeyGFTLEQOFMZMOER-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate

tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate (PubChem CID 67272176) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
PubChem CID67272176
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
SMILESCc1cccnc1CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-13-6-5-9-18-15(13)12-19-14-7-10-20(11-8-14)16(21)22-17(2,3)4/h5-6,9,14,19H,7-8,10-12H2,1-4H3
InChIKeyGFTLEQOFMZMOER-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
tert-butyl 4-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methylamino]piperidine-1-carboxylate
CID 67272145
tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate
CID 67271625
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
tert-butyl 6-[(3-methyl-2-pyridinyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398152
tert-butyl 4-[2-(2-amino-3-pyridinyl)ethylamino]piperidine-1-carboxylate
CID 68535771
tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 61285481
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 3-[[N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465555
tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 103851562
tert-butyl 4-[(3-methylthiophen-2-yl)methylamino]azepane-1-carboxylate
CID 103982485

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate (CID 67272176) is tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate is Cc1cccnc1CNC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate?
The InChIKey is GFTLEQOFMZMOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-6-5-9-18-15(13)12-19-14-7-10-20(11-8-14)16(21)22-17(2,3)4/h5-6,9,14,19H,7-8,10-12H2,1-4H3.
What are the key properties of tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 67272176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).