tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate

C18H35N3O2 — CID 103881764

IUPACtert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate
SMILESCC1CCCC(C)N1NCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-14-8-6-9-15(2)21(14)19-12-16-10-7-11-20(13-16)17(22)23-18(3,4)5/h14-16,19H,6-13H2,1-5H3
InChIKeyDDMIJRYLIUNAPO-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 103881764) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID103881764
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate
SMILESCC1CCCC(C)N1NCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-14-8-6-9-15(2)21(14)19-12-16-10-7-11-20(13-16)17(22)23-18(3,4)5/h14-16,19H,6-13H2,1-5H3
InChIKeyDDMIJRYLIUNAPO-UHFFFAOYSA-N
XLogP3.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]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 (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
tert-butyl 3-[[(4-methylpiperazin-1-yl)amino]methyl]piperidine-1-carboxylate
CID 103881772
tert-butyl 3-[[(2-hydroxycyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103680177
tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
CID 165463661
tert-butyl 3-[(cyclopent-3-en-1-ylamino)methyl]piperidine-1-carboxylate
CID 115696340
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103759161
tert-butyl 3-[2-[(2-methylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 103748321
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
tert-butyl 3-[(2,6-dimethylpiperidin-1-yl)amino]pyrrolidine-1-carboxylate
CID 83010236

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate (CID 103881764) is tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate is CC1CCCC(C)N1NCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is DDMIJRYLIUNAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14-8-6-9-15(2)21(14)19-12-16-10-7-11-20(13-16)17(22)23-18(3,4)5/h14-16,19H,6-13H2,1-5H3.
What are the key properties of tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 325.50 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103881764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).