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

C25H36N4O2 — CID 67271625

IUPACtert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1cccnc1CN(Cc1ncccc1C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H36N4O2/c1-19-8-6-12-26-22(19)17-28(18-23-20(2)9-7-13-27-23)16-21-10-14-29(15-11-21)24(30)31-25(3,4)5/h6-9,12-13,21H,10-11,14-18H2,1-5H3
InChIKeyIDJGJOQQGWRYLF-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.74
Rot. Bonds6

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

tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 67271625) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate
PubChem CID67271625
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Nametert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1cccnc1CN(Cc1ncccc1C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H36N4O2/c1-19-8-6-12-26-22(19)17-28(18-23-20(2)9-7-13-27-23)16-21-10-14-29(15-11-21)24(30)31-25(3,4)5/h6-9,12-13,21H,10-11,14-18H2,1-5H3
InChIKeyIDJGJOQQGWRYLF-UHFFFAOYSA-N
XLogP4.74
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]azetidine-1-carboxylate
CID 67272262
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 67272176
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 6-[(3-methyl-2-pyridinyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398152
tert-butyl 4-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 139027539
tert-butyl 4-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]piperidine-1-carboxylate
CID 103730296
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane
CID 142119286
tert-butyl 4-[(N,4-dimethylanilino)methyl]piperidine-1-carboxylate;ethane
CID 156860747
tert-butyl 4-[[(S)-pyrimidin-2-ylsulfinyl]methyl]piperidine-1-carboxylate
CID 97171549
tert-butyl (3R)-3-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97351178
tert-butyl 4-[(dipropylamino)methyl]piperidine-1-carboxylate
CID 123464711

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate (CID 67271625) is tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate is Cc1cccnc1CN(Cc1ncccc1C)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is IDJGJOQQGWRYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-19-8-6-12-26-22(19)17-28(18-23-20(2)9-7-13-27-23)16-21-10-14-29(15-11-21)24(30)31-25(3,4)5/h6-9,12-13,21H,10-11,14-18H2,1-5H3.
What are the key properties of tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 424.59 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 67271625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).