benzyl formate;ethane;4-fluoro-1-methylpiperidine

C18H32FNO2 — CID 143937887

IUPACbenzyl formate;ethane;4-fluoro-1-methylpiperidine
SMILESCC.CC.CN1CCC(F)CC1.O=COCc1ccccc1
InChIInChI=1S/C8H8O2.C6H12FN.2C2H6/c9-7-10-6-8-4-2-1-3-5-8;1-8-4-2-6(7)3-5-8;2*1-2/h1-5,7H,6H2;6H,2-5H2,1H3;2*1-2H3
InChIKeySTNJCIZOAOAKMF-UHFFFAOYSA-N
MW313.46 g/mol
LogP4.46
Rot. Bonds3

About benzyl formate;ethane;4-fluoro-1-methylpiperidine

benzyl formate;ethane;4-fluoro-1-methylpiperidine (PubChem CID 143937887) has the molecular formula C18H32FNO2 and a molecular weight of 313.46 g/mol. Its IUPAC name is benzyl formate;ethane;4-fluoro-1-methylpiperidine.

Molecular Properties

Compound Namebenzyl formate;ethane;4-fluoro-1-methylpiperidine
PubChem CID143937887
Molecular FormulaC18H32FNO2
Molecular Weight313.46 g/mol
Exact Mass313.24
IUPAC Namebenzyl formate;ethane;4-fluoro-1-methylpiperidine
SMILESCC.CC.CN1CCC(F)CC1.O=COCc1ccccc1
InChIInChI=1S/C8H8O2.C6H12FN.2C2H6/c9-7-10-6-8-4-2-1-3-5-8;1-8-4-2-6(7)3-5-8;2*1-2/h1-5,7H,6H2;6H,2-5H2,1H3;2*1-2H3
InChIKeySTNJCIZOAOAKMF-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl formate;1-methylpyrrolidine;2-oxopropanal
CID 142105796
benzyl formate;2-methylazetidine
CID 159394402
benzyl formate;1-methyl-2-methylsulfonylpyrrolidine
CID 174511816
benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174582130
benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 174487902
benzyl formate;(3R,4R)-4-fluoropyrrolidin-3-amine
CID 174927682
benzyl formate;(6S)-6-methylpiperazin-2-one
CID 174951053
4-benzyl-1-methylpiperidine;ethane
CID 142009767
[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate
CID 118067597
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
benzyl formate;(3S,4S)-4-ethenyl-3-fluoropyrrolidin-2-one
CID 161079088
benzyl formate;piperidin-3-ylhydrazine
CID 174774253

Frequently Asked Questions

What is the IUPAC name of benzyl formate;ethane;4-fluoro-1-methylpiperidine?
The IUPAC name of benzyl formate;ethane;4-fluoro-1-methylpiperidine (CID 143937887) is benzyl formate;ethane;4-fluoro-1-methylpiperidine.
What is the SMILES notation for benzyl formate;ethane;4-fluoro-1-methylpiperidine?
The canonical SMILES for benzyl formate;ethane;4-fluoro-1-methylpiperidine is CC.CC.CN1CCC(F)CC1.O=COCc1ccccc1.
What is the InChIKey of benzyl formate;ethane;4-fluoro-1-methylpiperidine?
The InChIKey is STNJCIZOAOAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H12FN.2C2H6/c9-7-10-6-8-4-2-1-3-5-8;1-8-4-2-6(7)3-5-8;2*1-2/h1-5,7H,6H2;6H,2-5H2,1H3;2*1-2H3.
What are the key properties of benzyl formate;ethane;4-fluoro-1-methylpiperidine?
benzyl formate;ethane;4-fluoro-1-methylpiperidine has a molecular weight of 313.46 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl formate;ethane;4-fluoro-1-methylpiperidine is sourced from PubChem (CID 143937887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).