ethyl formate;4-methylpiperidine

C9H19NO2 — CID 160898712

IUPACethyl formate;4-methylpiperidine
SMILESCC1CCNCC1.CCOC=O
InChIInChI=1S/C6H13N.C3H6O2/c1-6-2-4-7-5-3-6;1-2-5-3-4/h6-7H,2-5H2,1H3;3H,2H2,1H3
InChIKeySPFIQQINTOOTAZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds2

About ethyl formate;4-methylpiperidine

ethyl formate;4-methylpiperidine (PubChem CID 160898712) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl formate;4-methylpiperidine.

Molecular Properties

Compound Nameethyl formate;4-methylpiperidine
PubChem CID160898712
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl formate;4-methylpiperidine
SMILESCC1CCNCC1.CCOC=O
InChIInChI=1S/C6H13N.C3H6O2/c1-6-2-4-7-5-3-6;1-2-5-3-4/h6-7H,2-5H2,1H3;3H,2H2,1H3
InChIKeySPFIQQINTOOTAZ-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;4-methylpiperidine?
The IUPAC name of ethyl formate;4-methylpiperidine (CID 160898712) is ethyl formate;4-methylpiperidine.
What is the SMILES notation for ethyl formate;4-methylpiperidine?
The canonical SMILES for ethyl formate;4-methylpiperidine is CC1CCNCC1.CCOC=O.
What is the InChIKey of ethyl formate;4-methylpiperidine?
The InChIKey is SPFIQQINTOOTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H6O2/c1-6-2-4-7-5-3-6;1-2-5-3-4/h6-7H,2-5H2,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;4-methylpiperidine?
ethyl formate;4-methylpiperidine has a molecular weight of 173.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;4-methylpiperidine is sourced from PubChem (CID 160898712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).