ethyl formate;(4-methylpiperidin-4-yl)methanol

C10H21NO3 — CID 160700182

IUPACethyl formate;(4-methylpiperidin-4-yl)methanol
SMILESCC1(CO)CCNCC1.CCOC=O
InChIInChI=1S/C7H15NO.C3H6O2/c1-7(6-9)2-4-8-5-3-7;1-2-5-3-4/h8-9H,2-6H2,1H3;3H,2H2,1H3
InChIKeyRQNAXVUPMLDGFI-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.55
Rot. Bonds3

About ethyl formate;(4-methylpiperidin-4-yl)methanol

ethyl formate;(4-methylpiperidin-4-yl)methanol (PubChem CID 160700182) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl formate;(4-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Nameethyl formate;(4-methylpiperidin-4-yl)methanol
PubChem CID160700182
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl formate;(4-methylpiperidin-4-yl)methanol
SMILESCC1(CO)CCNCC1.CCOC=O
InChIInChI=1S/C7H15NO.C3H6O2/c1-7(6-9)2-4-8-5-3-7;1-2-5-3-4/h8-9H,2-6H2,1H3;3H,2H2,1H3
InChIKeyRQNAXVUPMLDGFI-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylpiperidin-4-yl)methanol?
The IUPAC name of ethyl formate;(4-methylpiperidin-4-yl)methanol (CID 160700182) is ethyl formate;(4-methylpiperidin-4-yl)methanol.
What is the SMILES notation for ethyl formate;(4-methylpiperidin-4-yl)methanol?
The canonical SMILES for ethyl formate;(4-methylpiperidin-4-yl)methanol is CC1(CO)CCNCC1.CCOC=O.
What is the InChIKey of ethyl formate;(4-methylpiperidin-4-yl)methanol?
The InChIKey is RQNAXVUPMLDGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C3H6O2/c1-7(6-9)2-4-8-5-3-7;1-2-5-3-4/h8-9H,2-6H2,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;(4-methylpiperidin-4-yl)methanol?
ethyl formate;(4-methylpiperidin-4-yl)methanol has a molecular weight of 203.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;(4-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 160700182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).