4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol

C19H20FNO3 — CID 3228747

IUPAC4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc3c(c2)OCO3)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FNO3/c20-16-4-1-14(2-5-16)12-21-9-7-19(22,8-10-21)15-3-6-17-18(11-15)24-13-23-17/h1-6,11,22H,7-10,12-13H2
InChIKeyYREQRKWWHCQMHY-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.04
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol

4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol (PubChem CID 3228747) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol
PubChem CID3228747
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc3c(c2)OCO3)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FNO3/c20-16-4-1-14(2-5-16)12-21-9-7-19(22,8-10-21)15-3-6-17-18(11-15)24-13-23-17/h1-6,11,22H,7-10,12-13H2
InChIKeyYREQRKWWHCQMHY-UHFFFAOYSA-N
XLogP3.04
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol (CID 3228747) is 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol is OC1(c2ccc3c(c2)OCO3)CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol?
The InChIKey is YREQRKWWHCQMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-4-1-14(2-5-16)12-21-9-7-19(22,8-10-21)15-3-6-17-18(11-15)24-13-23-17/h1-6,11,22H,7-10,12-13H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol?
4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol has a molecular weight of 329.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 3228747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).