tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate

C11H23N3O2 — CID 68876436

IUPACtert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate
SMILESCN(NC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14(4)13-9-5-7-12-8-6-9/h9,12-13H,5-8H2,1-4H3
InChIKeyNGVSJGPDXSVIBR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.11
Rot. Bonds2

About tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate

tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate (PubChem CID 68876436) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate
PubChem CID68876436
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Nametert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate
SMILESCN(NC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14(4)13-9-5-7-12-8-6-9/h9,12-13H,5-8H2,1-4H3
InChIKeyNGVSJGPDXSVIBR-UHFFFAOYSA-N
XLogP1.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate (CID 68876436) is tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate is CN(NC1CCNCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate?
The InChIKey is NGVSJGPDXSVIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14(4)13-9-5-7-12-8-6-9/h9,12-13H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate?
tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate has a molecular weight of 229.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate is sourced from PubChem (CID 68876436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).