1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol

C19H27NO — CID 71271257

IUPAC1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C19H27NO/c1-15(21)13-16-5-7-17(8-6-16)14-18-9-11-20(12-10-18)19-3-2-4-19/h5-8,14-15,19,21H,2-4,9-13H2,1H3
InChIKeyDZJIHIIYWBNHFM-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.64
Rot. Bonds4

About 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol

1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol (PubChem CID 71271257) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol
PubChem CID71271257
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C19H27NO/c1-15(21)13-16-5-7-17(8-6-16)14-18-9-11-20(12-10-18)19-3-2-4-19/h5-8,14-15,19,21H,2-4,9-13H2,1H3
InChIKeyDZJIHIIYWBNHFM-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol (CID 71271257) is 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol is CC(O)Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol?
The InChIKey is DZJIHIIYWBNHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-15(21)13-16-5-7-17(8-6-16)14-18-9-11-20(12-10-18)19-3-2-4-19/h5-8,14-15,19,21H,2-4,9-13H2,1H3.
What are the key properties of 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol?
1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol is sourced from PubChem (CID 71271257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).