ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine

C19H41FN2O — CID 145307293

IUPACethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine
SMILESCC.CCCCCN1CCC(F)CC1.CCCN1CCOCC1
InChIInChI=1S/C10H20FN.C7H15NO.C2H6/c1-2-3-4-7-12-8-5-10(11)6-9-12;1-2-3-8-4-6-9-7-5-8;1-2/h10H,2-9H2,1H3;2-7H2,1H3;1-2H3
InChIKeyDPOXTNGIHNOQNX-UHFFFAOYSA-N
MW332.55 g/mol
LogP4.37
Rot. Bonds6

About ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine

ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine (PubChem CID 145307293) has the molecular formula C19H41FN2O and a molecular weight of 332.55 g/mol. Its IUPAC name is ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine.

Molecular Properties

Compound Nameethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine
PubChem CID145307293
Molecular FormulaC19H41FN2O
Molecular Weight332.55 g/mol
Exact Mass332.32
IUPAC Nameethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine
SMILESCC.CCCCCN1CCC(F)CC1.CCCN1CCOCC1
InChIInChI=1S/C10H20FN.C7H15NO.C2H6/c1-2-3-4-7-12-8-5-10(11)6-9-12;1-2-3-8-4-6-9-7-5-8;1-2/h10H,2-9H2,1H3;2-7H2,1H3;1-2H3
InChIKeyDPOXTNGIHNOQNX-UHFFFAOYSA-N
XLogP4.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-methyl-, diiodide
CID 3047762
4-Methyl-4-[12-(4-methylmorpholin-4-ium-4-yl)dodecyl]morpholin-4-ium
CID 116313
Morpholinium, 4,4'-hexamethylenebis(4-ethyl-, diiodide
CID 116275
Morpholinium, 4,4'-hexamethylenebis(4-methyl-, diiodide
CID 116277
4,4'-(Pentane-1,5-diyl)bis(4-methylmorpholin-4-ium) dibromide
CID 116289
4,4'-(Heptane-1,7-diyl)bis(4-methylmorpholin-4-ium) diiodide
CID 116320
Piperidinium, 1-ethyl-1-(2-(2-(triethylammonio)ethoxy)ethyl)-, dibromide
CID 3048293
Piperidinium, 1,1'-oxydiethylenebis(1-ethyl-, dibromide
CID 3048562
Piperidinium, 1,1'-oxydiethylenebis(1-methyl-, diiodide
CID 3048564
Piperidinium, 1,1'-(ethylenebis(oxyethylene))bis(1-ethyl-, diiodide
CID 3066868
4-(1-Methyl-4-piperidinyl)morpholine
CID 870788
4-(10-Morpholin-4-yldecyl)morpholine
CID 407557

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine?
The IUPAC name of ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine (CID 145307293) is ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine.
What is the SMILES notation for ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine?
The canonical SMILES for ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine is CC.CCCCCN1CCC(F)CC1.CCCN1CCOCC1.
What is the InChIKey of ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine?
The InChIKey is DPOXTNGIHNOQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN.C7H15NO.C2H6/c1-2-3-4-7-12-8-5-10(11)6-9-12;1-2-3-8-4-6-9-7-5-8;1-2/h10H,2-9H2,1H3;2-7H2,1H3;1-2H3.
What are the key properties of ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine?
ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine has a molecular weight of 332.55 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine is sourced from PubChem (CID 145307293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).