acetic acid;1-butyl-2-ethylpiperidine

C13H27NO2 — CID 175583343

IUPACacetic acid;1-butyl-2-ethylpiperidine
SMILESCC(=O)O.CCCCN1CCCCC1CC
InChIInChI=1S/C11H23N.C2H4O2/c1-3-5-9-12-10-7-6-8-11(12)4-2;1-2(3)4/h11H,3-10H2,1-2H3;1H3,(H,3,4)
InChIKeyWXFDTNHUOXFRFE-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.14
Rot. Bonds4

About acetic acid;1-butyl-2-ethylpiperidine

acetic acid;1-butyl-2-ethylpiperidine (PubChem CID 175583343) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is acetic acid;1-butyl-2-ethylpiperidine.

Molecular Properties

Compound Nameacetic acid;1-butyl-2-ethylpiperidine
PubChem CID175583343
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nameacetic acid;1-butyl-2-ethylpiperidine
SMILESCC(=O)O.CCCCN1CCCCC1CC
InChIInChI=1S/C11H23N.C2H4O2/c1-3-5-9-12-10-7-6-8-11(12)4-2;1-2(3)4/h11H,3-10H2,1-2H3;1H3,(H,3,4)
InChIKeyWXFDTNHUOXFRFE-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze acetic acid;1-butyl-2-ethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-dodecyl-2-ethylpiperidine
CID 171569899
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
2-ethyl-1-undecylpyrrolidine
CID 171569857
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-pentyl-2-propylpiperidine
CID 54429991
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate
CID 57049315
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-butyl-2-ethylpiperidine?
The IUPAC name of acetic acid;1-butyl-2-ethylpiperidine (CID 175583343) is acetic acid;1-butyl-2-ethylpiperidine.
What is the SMILES notation for acetic acid;1-butyl-2-ethylpiperidine?
The canonical SMILES for acetic acid;1-butyl-2-ethylpiperidine is CC(=O)O.CCCCN1CCCCC1CC.
What is the InChIKey of acetic acid;1-butyl-2-ethylpiperidine?
The InChIKey is WXFDTNHUOXFRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H4O2/c1-3-5-9-12-10-7-6-8-11(12)4-2;1-2(3)4/h11H,3-10H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-butyl-2-ethylpiperidine?
acetic acid;1-butyl-2-ethylpiperidine has a molecular weight of 229.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-butyl-2-ethylpiperidine is sourced from PubChem (CID 175583343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).