3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol

C22H33NO — CID 123372484

IUPAC3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C22H33NO/c1-3-22(24,4-2)17-20-10-8-18(9-11-20)16-19-12-14-23(15-13-19)21-6-5-7-21/h8-11,16,21,24H,3-7,12-15,17H2,1-2H3
InChIKeyOQJNQDIZXUNFEN-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.81
Rot. Bonds6

About 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol

3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol (PubChem CID 123372484) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol
PubChem CID123372484
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C22H33NO/c1-3-22(24,4-2)17-20-10-8-18(9-11-20)16-19-12-14-23(15-13-19)21-6-5-7-21/h8-11,16,21,24H,3-7,12-15,17H2,1-2H3
InChIKeyOQJNQDIZXUNFEN-UHFFFAOYSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol (CID 123372484) is 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol is CCC(O)(CC)Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol?
The InChIKey is OQJNQDIZXUNFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-3-22(24,4-2)17-20-10-8-18(9-11-20)16-19-12-14-23(15-13-19)21-6-5-7-21/h8-11,16,21,24H,3-7,12-15,17H2,1-2H3.
What are the key properties of 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol?
3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol has a molecular weight of 327.51 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol is sourced from PubChem (CID 123372484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).