2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol

C17H32N2O2 — CID 142056117

IUPAC2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(=CCCC2CCN(CCO)CC2)CC1
InChIInChI=1S/C17H32N2O2/c20-14-12-18-8-4-16(5-9-18)2-1-3-17-6-10-19(11-7-17)13-15-21/h2,17,20-21H,1,3-15H2
InChIKeyDGRUWHBSEHGLSK-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.49
Rot. Bonds7

About 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol

2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol (PubChem CID 142056117) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol
PubChem CID142056117
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(=CCCC2CCN(CCO)CC2)CC1
InChIInChI=1S/C17H32N2O2/c20-14-12-18-8-4-16(5-9-18)2-1-3-17-6-10-19(11-7-17)13-15-21/h2,17,20-21H,1,3-15H2
InChIKeyDGRUWHBSEHGLSK-UHFFFAOYSA-N
XLogP1.49
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol (CID 142056117) is 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol is OCCN1CCC(=CCCC2CCN(CCO)CC2)CC1.
What is the InChIKey of 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol?
The InChIKey is DGRUWHBSEHGLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c20-14-12-18-8-4-16(5-9-18)2-1-3-17-6-10-19(11-7-17)13-15-21/h2,17,20-21H,1,3-15H2.
What are the key properties of 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol?
2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol has a molecular weight of 296.46 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(2-hydroxyethyl)piperidin-4-ylidene]propyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 142056117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).