1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol

C21H27NO2 — CID 21151554

IUPAC1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol
SMILESCOc1cc(-c2ccccc2)ccc1C(O)CCN1CCCCC1
InChIInChI=1S/C21H27NO2/c1-24-21-16-18(17-8-4-2-5-9-17)10-11-19(21)20(23)12-15-22-13-6-3-7-14-22/h2,4-5,8-11,16,20,23H,3,6-7,12-15H2,1H3
InChIKeyYCJVDRBQALWMBQ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.27
Rot. Bonds6

About 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol

1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol (PubChem CID 21151554) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol
PubChem CID21151554
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol
SMILESCOc1cc(-c2ccccc2)ccc1C(O)CCN1CCCCC1
InChIInChI=1S/C21H27NO2/c1-24-21-16-18(17-8-4-2-5-9-17)10-11-19(21)20(23)12-15-22-13-6-3-7-14-22/h2,4-5,8-11,16,20,23H,3,6-7,12-15H2,1H3
InChIKeyYCJVDRBQALWMBQ-UHFFFAOYSA-N
XLogP4.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol (CID 21151554) is 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol is COc1cc(-c2ccccc2)ccc1C(O)CCN1CCCCC1.
What is the InChIKey of 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol?
The InChIKey is YCJVDRBQALWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-24-21-16-18(17-8-4-2-5-9-17)10-11-19(21)20(23)12-15-22-13-6-3-7-14-22/h2,4-5,8-11,16,20,23H,3,6-7,12-15H2,1H3.
What are the key properties of 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol?
1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol has a molecular weight of 325.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 21151554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).