2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol

C23H33NO2 — CID 71270976

IUPAC2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol
SMILESOC(Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1)C1CCOCC1
InChIInChI=1S/C23H33NO2/c25-23(21-10-14-26-15-11-21)17-19-6-4-18(5-7-19)16-20-8-12-24(13-9-20)22-2-1-3-22/h4-7,16,21-23,25H,1-3,8-15,17H2
InChIKeyPFTIESKFHBEXCI-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.05
Rot. Bonds5

About 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol

2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol (PubChem CID 71270976) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol
PubChem CID71270976
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol
SMILESOC(Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1)C1CCOCC1
InChIInChI=1S/C23H33NO2/c25-23(21-10-14-26-15-11-21)17-19-6-4-18(5-7-19)16-20-8-12-24(13-9-20)22-2-1-3-22/h4-7,16,21-23,25H,1-3,8-15,17H2
InChIKeyPFTIESKFHBEXCI-UHFFFAOYSA-N
XLogP4.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol (CID 71270976) is 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol is OC(Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1)C1CCOCC1.
What is the InChIKey of 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol?
The InChIKey is PFTIESKFHBEXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c25-23(21-10-14-26-15-11-21)17-19-6-4-18(5-7-19)16-20-8-12-24(13-9-20)22-2-1-3-22/h4-7,16,21-23,25H,1-3,8-15,17H2.
What are the key properties of 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol?
2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol has a molecular weight of 355.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 71270976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).