methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate

C12H20N2O2 — CID 15725064

IUPACmethyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate
SMILESCOC(=O)N(C)CC#CCN1CCCCC1
InChIInChI=1S/C12H20N2O2/c1-13(12(15)16-2)8-6-7-11-14-9-4-3-5-10-14/h3-5,8-11H2,1-2H3
InChIKeyAJUZXBAVSLEZMJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.17
Rot. Bonds2

About methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate

methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate (PubChem CID 15725064) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate
PubChem CID15725064
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namemethyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate
SMILESCOC(=O)N(C)CC#CCN1CCCCC1
InChIInChI=1S/C12H20N2O2/c1-13(12(15)16-2)8-6-7-11-14-9-4-3-5-10-14/h3-5,8-11H2,1-2H3
InChIKeyAJUZXBAVSLEZMJ-UHFFFAOYSA-N
XLogP1.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate?
The IUPAC name of methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate (CID 15725064) is methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate?
The canonical SMILES for methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate is COC(=O)N(C)CC#CCN1CCCCC1.
What is the InChIKey of methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate?
The InChIKey is AJUZXBAVSLEZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13(12(15)16-2)8-6-7-11-14-9-4-3-5-10-14/h3-5,8-11H2,1-2H3.
What are the key properties of methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate?
methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate has a molecular weight of 224.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate is sourced from PubChem (CID 15725064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).