2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol

C19H28N4O — CID 46984527

IUPAC2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESCC(CCN1CCC(n2cc(CCO)nn2)CC1)c1ccccc1
InChIInChI=1S/C19H28N4O/c1-16(17-5-3-2-4-6-17)7-11-22-12-8-19(9-13-22)23-15-18(10-14-24)20-21-23/h2-6,15-16,19,24H,7-14H2,1H3
InChIKeyQFOKJUWNFGNLOY-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.64
Rot. Bonds7

About 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol

2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 46984527) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID46984527
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESCC(CCN1CCC(n2cc(CCO)nn2)CC1)c1ccccc1
InChIInChI=1S/C19H28N4O/c1-16(17-5-3-2-4-6-17)7-11-22-12-8-19(9-13-22)23-15-18(10-14-24)20-21-23/h2-6,15-16,19,24H,7-14H2,1H3
InChIKeyQFOKJUWNFGNLOY-UHFFFAOYSA-N
XLogP2.64
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol (CID 46984527) is 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol is CC(CCN1CCC(n2cc(CCO)nn2)CC1)c1ccccc1.
What is the InChIKey of 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is QFOKJUWNFGNLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-16(17-5-3-2-4-6-17)7-11-22-12-8-19(9-13-22)23-15-18(10-14-24)20-21-23/h2-6,15-16,19,24H,7-14H2,1H3.
What are the key properties of 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol?
2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 328.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 46984527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).