1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol

C14H29NO2 — CID 157039735

IUPAC1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESCCCC(CC)CCN1CCC(O)CC1CO
InChIInChI=1S/C14H29NO2/c1-3-5-12(4-2)6-8-15-9-7-14(17)10-13(15)11-16/h12-14,16-17H,3-11H2,1-2H3
InChIKeyMLUHHIOBRWBUNF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.02
Rot. Bonds7

About 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol

1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 157039735) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol
PubChem CID157039735
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESCCCC(CC)CCN1CCC(O)CC1CO
InChIInChI=1S/C14H29NO2/c1-3-5-12(4-2)6-8-15-9-7-14(17)10-13(15)11-16/h12-14,16-17H,3-11H2,1-2H3
InChIKeyMLUHHIOBRWBUNF-UHFFFAOYSA-N
XLogP2.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol (CID 157039735) is 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol is CCCC(CC)CCN1CCC(O)CC1CO.
What is the InChIKey of 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is MLUHHIOBRWBUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-12(4-2)6-8-15-9-7-14(17)10-13(15)11-16/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol?
1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 243.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 157039735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).