acetic acid;4-ethyl-1-hexylpiperidine

C15H31NO2 — CID 175583898

IUPACacetic acid;4-ethyl-1-hexylpiperidine
SMILESCC(=O)O.CCCCCCN1CCC(CC)CC1
InChIInChI=1S/C13H27N.C2H4O2/c1-3-5-6-7-10-14-11-8-13(4-2)9-12-14;1-2(3)4/h13H,3-12H2,1-2H3;1H3,(H,3,4)
InChIKeyJGPIOLDXHLQVGY-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.78
Rot. Bonds6

About acetic acid;4-ethyl-1-hexylpiperidine

acetic acid;4-ethyl-1-hexylpiperidine (PubChem CID 175583898) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is acetic acid;4-ethyl-1-hexylpiperidine.

Molecular Properties

Compound Nameacetic acid;4-ethyl-1-hexylpiperidine
PubChem CID175583898
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nameacetic acid;4-ethyl-1-hexylpiperidine
SMILESCC(=O)O.CCCCCCN1CCC(CC)CC1
InChIInChI=1S/C13H27N.C2H4O2/c1-3-5-6-7-10-14-11-8-13(4-2)9-12-14;1-2(3)4/h13H,3-12H2,1-2H3;1H3,(H,3,4)
InChIKeyJGPIOLDXHLQVGY-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
4-ethyl-1-hexylpiperidine;formonitrile
CID 175874680
acetic acid;1-dodecylpyrrolidine
CID 175583827
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
acetic acid;1-nonylpiperidine
CID 175874764
4-butyl-1-octylpiperidine
CID 171570418
4-ethyl-1-pentylpiperidine;methyl hydrogen carbonate;4-methylmorpholine
CID 174804809
4-(4-ethylpiperidin-1-yl)butan-2-one
CID 20686954
1-octylpiperidin-4-ol
CID 62022103
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-ethyl-1-hexylpiperidine?
The IUPAC name of acetic acid;4-ethyl-1-hexylpiperidine (CID 175583898) is acetic acid;4-ethyl-1-hexylpiperidine.
What is the SMILES notation for acetic acid;4-ethyl-1-hexylpiperidine?
The canonical SMILES for acetic acid;4-ethyl-1-hexylpiperidine is CC(=O)O.CCCCCCN1CCC(CC)CC1.
What is the InChIKey of acetic acid;4-ethyl-1-hexylpiperidine?
The InChIKey is JGPIOLDXHLQVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C2H4O2/c1-3-5-6-7-10-14-11-8-13(4-2)9-12-14;1-2(3)4/h13H,3-12H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-ethyl-1-hexylpiperidine?
acetic acid;4-ethyl-1-hexylpiperidine has a molecular weight of 257.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-ethyl-1-hexylpiperidine is sourced from PubChem (CID 175583898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).