2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol

C14H23N3O — CID 59263109

IUPAC2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2C=CC3=C(CNC3)C2)CC1
InChIInChI=1S/C14H23N3O/c18-8-7-16-3-5-17(6-4-16)14-2-1-12-10-15-11-13(12)9-14/h1-2,14-15,18H,3-11H2
InChIKeyDZKSTEFMRSRXCD-UHFFFAOYSA-N
MW249.36 g/mol
LogP-0.18
Rot. Bonds3

About 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol

2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol (PubChem CID 59263109) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol
PubChem CID59263109
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2C=CC3=C(CNC3)C2)CC1
InChIInChI=1S/C14H23N3O/c18-8-7-16-3-5-17(6-4-16)14-2-1-12-10-15-11-13(12)9-14/h1-2,14-15,18H,3-11H2
InChIKeyDZKSTEFMRSRXCD-UHFFFAOYSA-N
XLogP-0.18
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol (CID 59263109) is 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol is OCCN1CCN(C2C=CC3=C(CNC3)C2)CC1.
What is the InChIKey of 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol?
The InChIKey is DZKSTEFMRSRXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c18-8-7-16-3-5-17(6-4-16)14-2-1-12-10-15-11-13(12)9-14/h1-2,14-15,18H,3-11H2.
What are the key properties of 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol?
2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol has a molecular weight of 249.36 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,4,5-tetrahydro-1H-isoindol-5-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 59263109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).