methyl formate;1-pentylpiperazine

C11H24N2O2 — CID 170976052

IUPACmethyl formate;1-pentylpiperazine
SMILESCCCCCN1CCNCC1.COC=O
InChIInChI=1S/C9H20N2.C2H4O2/c1-2-3-4-7-11-8-5-10-6-9-11;1-4-2-3/h10H,2-9H2,1H3;2H,1H3
InChIKeyFLXADIBVLOQMIZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.87
Rot. Bonds5

About methyl formate;1-pentylpiperazine

methyl formate;1-pentylpiperazine (PubChem CID 170976052) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is methyl formate;1-pentylpiperazine.

Molecular Properties

Compound Namemethyl formate;1-pentylpiperazine
PubChem CID170976052
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Namemethyl formate;1-pentylpiperazine
SMILESCCCCCN1CCNCC1.COC=O
InChIInChI=1S/C9H20N2.C2H4O2/c1-2-3-4-7-11-8-5-10-6-9-11;1-4-2-3/h10H,2-9H2,1H3;2H,1H3
InChIKeyFLXADIBVLOQMIZ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpiperidinium formate
CID 68634417
N-methyl-piperidinium diformate
CID 134716274
Methyl 2-(1-piperidinyl)ethylcarbamate
CID 12673080
methyl N-(2-piperidin-1-ylethyl)carbamate;hydrochloride
CID 17871061
Methyl 3-(methylamino)piperidine-1-carboxylate
CID 20770667
1-(3,5-Dimethylpiperazin-1-yl)ethyl formate
CID 22330065
Methyl 4-(5-aminopentyl)piperazine-1-carboxylate
CID 43252460
3-Piperazin-1-ylpropyl formate
CID 57443681
4-Piperazin-1-ylbutyl formate
CID 87852547
Hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine
CID 118036893
Methyl carbonate;1-methylpiperidin-1-ium
CID 118112265
Methyl 3-formamidopiperidine-1-carboxylate
CID 140090060

Frequently Asked Questions

What is the IUPAC name of methyl formate;1-pentylpiperazine?
The IUPAC name of methyl formate;1-pentylpiperazine (CID 170976052) is methyl formate;1-pentylpiperazine.
What is the SMILES notation for methyl formate;1-pentylpiperazine?
The canonical SMILES for methyl formate;1-pentylpiperazine is CCCCCN1CCNCC1.COC=O.
What is the InChIKey of methyl formate;1-pentylpiperazine?
The InChIKey is FLXADIBVLOQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C2H4O2/c1-2-3-4-7-11-8-5-10-6-9-11;1-4-2-3/h10H,2-9H2,1H3;2H,1H3.
What are the key properties of methyl formate;1-pentylpiperazine?
methyl formate;1-pentylpiperazine has a molecular weight of 216.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;1-pentylpiperazine is sourced from PubChem (CID 170976052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).