2-(4-heptylpiperidin-4-yl)oxyethanol

C14H29NO2 — CID 21440901

IUPAC2-(4-heptylpiperidin-4-yl)oxyethanol
SMILESCCCCCCCC1(OCCO)CCNCC1
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-14(17-13-12-16)8-10-15-11-9-14/h15-16H,2-13H2,1H3
InChIKeyFTFSXPWFFUJJAB-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.48
Rot. Bonds9

About 2-(4-heptylpiperidin-4-yl)oxyethanol

2-(4-heptylpiperidin-4-yl)oxyethanol (PubChem CID 21440901) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(4-heptylpiperidin-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(4-heptylpiperidin-4-yl)oxyethanol
PubChem CID21440901
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(4-heptylpiperidin-4-yl)oxyethanol
SMILESCCCCCCCC1(OCCO)CCNCC1
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-14(17-13-12-16)8-10-15-11-9-14/h15-16H,2-13H2,1H3
InChIKeyFTFSXPWFFUJJAB-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-heptylpiperidin-4-yl)oxyethanol?
The IUPAC name of 2-(4-heptylpiperidin-4-yl)oxyethanol (CID 21440901) is 2-(4-heptylpiperidin-4-yl)oxyethanol.
What is the SMILES notation for 2-(4-heptylpiperidin-4-yl)oxyethanol?
The canonical SMILES for 2-(4-heptylpiperidin-4-yl)oxyethanol is CCCCCCCC1(OCCO)CCNCC1.
What is the InChIKey of 2-(4-heptylpiperidin-4-yl)oxyethanol?
The InChIKey is FTFSXPWFFUJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-14(17-13-12-16)8-10-15-11-9-14/h15-16H,2-13H2,1H3.
What are the key properties of 2-(4-heptylpiperidin-4-yl)oxyethanol?
2-(4-heptylpiperidin-4-yl)oxyethanol has a molecular weight of 243.39 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-heptylpiperidin-4-yl)oxyethanol is sourced from PubChem (CID 21440901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).