4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol

C20H22ClNO3 — CID 91833288

IUPAC4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C20H22ClNO3/c21-16-7-5-15(6-8-16)20(23)9-11-22(12-10-20)13-17-14-24-18-3-1-2-4-19(18)25-17/h1-8,17,23H,9-14H2
InChIKeyMOPNEISEXMDANU-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.46
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol

4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol (PubChem CID 91833288) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
PubChem CID91833288
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C20H22ClNO3/c21-16-7-5-15(6-8-16)20(23)9-11-22(12-10-20)13-17-14-24-18-3-1-2-4-19(18)25-17/h1-8,17,23H,9-14H2
InChIKeyMOPNEISEXMDANU-UHFFFAOYSA-N
XLogP3.46
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol (CID 91833288) is 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CC2COc3ccccc3O2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol?
The InChIKey is MOPNEISEXMDANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c21-16-7-5-15(6-8-16)20(23)9-11-22(12-10-20)13-17-14-24-18-3-1-2-4-19(18)25-17/h1-8,17,23H,9-14H2.
What are the key properties of 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol has a molecular weight of 359.85 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 91833288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).