tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate

C12H25N3O2 — CID 107237353

IUPACtert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate
SMILESCN1CCC(CNNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-13-9-10-5-7-15(4)8-6-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyNJZPXPSXEFHBKH-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate

tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate (PubChem CID 107237353) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate
PubChem CID107237353
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate
SMILESCN1CCC(CNNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-13-9-10-5-7-15(4)8-6-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyNJZPXPSXEFHBKH-UHFFFAOYSA-N
XLogP1.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-(cyclobutylmethylamino)carbamate
CID 58693863
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952
ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate
CID 156823405
tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate
CID 103097056
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[(6-fluoro-1-methylazepan-4-yl)methyl]carbamate
CID 91578087
tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate
CID 167292263
tert-butyl N-[2-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884169
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
CID 53256443

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate?
The IUPAC name of tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate (CID 107237353) is tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate.
What is the SMILES notation for tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate?
The canonical SMILES for tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate is CN1CCC(CNNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate?
The InChIKey is NJZPXPSXEFHBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-13-9-10-5-7-15(4)8-6-10/h10,13H,5-9H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate?
tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate has a molecular weight of 243.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate is sourced from PubChem (CID 107237353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).