tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate

C17H33N3O2 — CID 104955727

IUPACtert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
SMILESCC1C(NC2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33N3O2/c1-13-15(18-14-8-11-19(5)12-9-14)7-6-10-20(13)16(21)22-17(2,3)4/h13-15,18H,6-12H2,1-5H3
InChIKeyMCGLZWXKKPGFCK-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.46
Rot. Bonds2

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

tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 104955727) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID104955727
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
SMILESCC1C(NC2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33N3O2/c1-13-15(18-14-8-11-19(5)12-9-14)7-6-10-20(13)16(21)22-17(2,3)4/h13-15,18H,6-12H2,1-5H3
InChIKeyMCGLZWXKKPGFCK-UHFFFAOYSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
CID 83851054
tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107256682
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
CID 107256740
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl 3-(2-cyclohexylethylamino)-2-methylpiperidine-1-carboxylate
CID 107256759
tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
tert-butyl 3-(2-ethylbutylamino)-2-methylpiperidine-1-carboxylate
CID 107256768
tert-butyl 4-[(2-methylcycloheptyl)amino]azepane-1-carboxylate
CID 103982358

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate (CID 104955727) is tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate is CC1C(NC2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is MCGLZWXKKPGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13-15(18-14-8-11-19(5)12-9-14)7-6-10-20(13)16(21)22-17(2,3)4/h13-15,18H,6-12H2,1-5H3.
What are the key properties of tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate?
tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 104955727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).