2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol

C17H35NO3 — CID 169079704

IUPAC2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol
SMILESCCCCOCCCCN1CCC(CCO)(CCO)CC1
InChIInChI=1S/C17H35NO3/c1-2-3-15-21-16-5-4-10-18-11-6-17(7-12-18,8-13-19)9-14-20/h19-20H,2-16H2,1H3
InChIKeyHZEDSCXHWFKFJM-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.43
Rot. Bonds12

About 2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol

2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol (PubChem CID 169079704) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol
PubChem CID169079704
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol
SMILESCCCCOCCCCN1CCC(CCO)(CCO)CC1
InChIInChI=1S/C17H35NO3/c1-2-3-15-21-16-5-4-10-18-11-6-17(7-12-18,8-13-19)9-14-20/h19-20H,2-16H2,1H3
InChIKeyHZEDSCXHWFKFJM-UHFFFAOYSA-N
XLogP2.43
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol (CID 169079704) is 2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol is CCCCOCCCCN1CCC(CCO)(CCO)CC1.
What is the InChIKey of 2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol?
The InChIKey is HZEDSCXHWFKFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-2-3-15-21-16-5-4-10-18-11-6-17(7-12-18,8-13-19)9-14-20/h19-20H,2-16H2,1H3.
What are the key properties of 2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol?
2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol has a molecular weight of 301.47 g/mol, XLogP of 2.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-butoxybutyl)-4-(2-hydroxyethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 169079704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).