4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine

C19H40N2O4 — CID 174804809

IUPAC4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine
SMILESCCCCCN1CCC(CC)CC1.CN1CCOCC1.COC(=O)O
InChIInChI=1S/C12H25N.C5H11NO.C2H4O3/c1-3-5-6-9-13-10-7-12(4-2)8-11-13;1-6-2-4-7-5-3-6;1-5-2(3)4/h12H,3-11H2,1-2H3;2-5H2,1H3;1H3,(H,3,4)
InChIKeySECIDBUQRQHQRU-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.56
Rot. Bonds5

About 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine

4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine (PubChem CID 174804809) has the molecular formula C19H40N2O4 and a molecular weight of 360.54 g/mol. Its IUPAC name is 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine.

Molecular Properties

Compound Name4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine
PubChem CID174804809
Molecular FormulaC19H40N2O4
Molecular Weight360.54 g/mol
Exact Mass360.30
IUPAC Name4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine
SMILESCCCCCN1CCC(CC)CC1.CN1CCOCC1.COC(=O)O
InChIInChI=1S/C12H25N.C5H11NO.C2H4O3/c1-3-5-6-9-13-10-7-12(4-2)8-11-13;1-6-2-4-7-5-3-6;1-5-2(3)4/h12H,3-11H2,1-2H3;2-5H2,1H3;1H3,(H,3,4)
InChIKeySECIDBUQRQHQRU-UHFFFAOYSA-N
XLogP3.56
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol
CID 68837154
4-Ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine
CID 139602228
4-Methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine
CID 139602230
4-Ethyl-4-methylmorpholin-4-ium;1-ethyl-1-methylpiperidin-1-ium;methyl carbonate
CID 140749769
Ethane;4-[(1-methylpiperidin-4-yl)methyl]morpholine;pentane
CID 144911249
4-[(3,5-Dimethylmorpholin-4-yl)methyl]piperidine-1-carboxylic acid
CID 156503600
Ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine
CID 177010858
1-[4-[(2,6-Dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol
CID 111106222
2-[2-(4-Methylpiperidin-1-yl)ethyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 112335527
1-[2-[2-(4-Ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine
CID 163451498
CID 178839909
CID 178839909

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine?
The IUPAC name of 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine (CID 174804809) is 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine.
What is the SMILES notation for 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine?
The canonical SMILES for 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine is CCCCCN1CCC(CC)CC1.CN1CCOCC1.COC(=O)O.
What is the InChIKey of 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine?
The InChIKey is SECIDBUQRQHQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C5H11NO.C2H4O3/c1-3-5-6-9-13-10-7-12(4-2)8-11-13;1-6-2-4-7-5-3-6;1-5-2(3)4/h12H,3-11H2,1-2H3;2-5H2,1H3;1H3,(H,3,4).
What are the key properties of 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine?
4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine has a molecular weight of 360.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine is sourced from PubChem (CID 174804809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).