2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol

C22H24N2O — CID 54525404

IUPAC2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol
SMILESOc1c2ccccc2cn1C1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H24N2O/c25-22-21-11-5-4-10-19(21)17-24(22)20-12-15-23(16-13-20)14-6-9-18-7-2-1-3-8-18/h1-11,17,20,25H,12-16H2
InChIKeyYSTUESMOFVRONU-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.70
Rot. Bonds4

About 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol

2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol (PubChem CID 54525404) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol.

Molecular Properties

Compound Name2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol
PubChem CID54525404
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol
SMILESOc1c2ccccc2cn1C1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H24N2O/c25-22-21-11-5-4-10-19(21)17-24(22)20-12-15-23(16-13-20)14-6-9-18-7-2-1-3-8-18/h1-11,17,20,25H,12-16H2
InChIKeyYSTUESMOFVRONU-UHFFFAOYSA-N
XLogP4.70
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 2213235
2-[1-[4-[9-(5-methyl-1,3-thiazol-2-yl)fluoren-9-yl]but-2-enyl]piperidin-4-yl]isoindol-1-ol
CID 91025843
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172902469
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol?
The IUPAC name of 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol (CID 54525404) is 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol.
What is the SMILES notation for 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol?
The canonical SMILES for 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol is Oc1c2ccccc2cn1C1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol?
The InChIKey is YSTUESMOFVRONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-22-21-11-5-4-10-19(21)17-24(22)20-12-15-23(16-13-20)14-6-9-18-7-2-1-3-8-18/h1-11,17,20,25H,12-16H2.
What are the key properties of 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol?
2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol has a molecular weight of 332.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol is sourced from PubChem (CID 54525404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).