piperidin-2-ylmethyl N-butylcarbamate

C11H22N2O2 — CID 79337301

IUPACpiperidin-2-ylmethyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1CCCCN1
InChIInChI=1S/C11H22N2O2/c1-2-3-7-13-11(14)15-9-10-6-4-5-8-12-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyOPJYTHMLEBRDOX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds5

About piperidin-2-ylmethyl N-butylcarbamate

piperidin-2-ylmethyl N-butylcarbamate (PubChem CID 79337301) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is piperidin-2-ylmethyl N-butylcarbamate.

Molecular Properties

Compound Namepiperidin-2-ylmethyl N-butylcarbamate
PubChem CID79337301
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepiperidin-2-ylmethyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1CCCCN1
InChIInChI=1S/C11H22N2O2/c1-2-3-7-13-11(14)15-9-10-6-4-5-8-12-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyOPJYTHMLEBRDOX-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

piperazin-2-ylmethyl N-butylcarbamate
CID 11173728
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
N-butylacetamide;pyrrolidin-2-ylmethanol
CID 144581218
[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
CID 97048112
piperidin-2-ylmethyl N-(4-methylphenyl)carbamate
CID 79337808
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-(2-piperidin-2-ylethyl)octanamide
CID 43125232
ethyl pyrrolidin-2-ylmethyl carbonate
CID 79337609
ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate
CID 64576385
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
2-pyrrolidin-3-ylethyl N-butylcarbamate
CID 114796626

Frequently Asked Questions

What is the IUPAC name of piperidin-2-ylmethyl N-butylcarbamate?
The IUPAC name of piperidin-2-ylmethyl N-butylcarbamate (CID 79337301) is piperidin-2-ylmethyl N-butylcarbamate.
What is the SMILES notation for piperidin-2-ylmethyl N-butylcarbamate?
The canonical SMILES for piperidin-2-ylmethyl N-butylcarbamate is CCCCNC(=O)OCC1CCCCN1.
What is the InChIKey of piperidin-2-ylmethyl N-butylcarbamate?
The InChIKey is OPJYTHMLEBRDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-7-13-11(14)15-9-10-6-4-5-8-12-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of piperidin-2-ylmethyl N-butylcarbamate?
piperidin-2-ylmethyl N-butylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-ylmethyl N-butylcarbamate is sourced from PubChem (CID 79337301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).