(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C16H22N2O3 — CID 71856932

IUPAC(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCO)CC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C16H22N2O3/c19-10-9-17-5-7-18(8-6-17)15(20)16(21)11-13-3-1-2-4-14(13)12-16/h1-4,19,21H,5-12H2
InChIKeyGYUURLICZOZNRH-UHFFFAOYSA-N
MW290.36 g/mol
LogP-0.35
Rot. Bonds3

About (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 71856932) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID71856932
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCO)CC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C16H22N2O3/c19-10-9-17-5-7-18(8-6-17)15(20)16(21)11-13-3-1-2-4-14(13)12-16/h1-4,19,21H,5-12H2
InChIKeyGYUURLICZOZNRH-UHFFFAOYSA-N
XLogP-0.35
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)propanamide
CID 11633324
(2R)-2-hydroxy-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)propanamide
CID 44406907
(2-Hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone
CID 71874541
(2-Hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 71925445
(2-Hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 71925528
(2S)-N-{2-[cyclopentyl(methyl)amino]ethyl}-2-hydroxy-N-methyl-3-phenylpropanamide
CID 132417059
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 137839700
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 137864005
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 139005892
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 139008581
(2S)-2-hydroxy-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 15172758
2-Hydroxy-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 21623741

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 71856932) is (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(N1CCN(CCO)CC1)C1(O)Cc2ccccc2C1.
What is the InChIKey of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is GYUURLICZOZNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-10-9-17-5-7-18(8-6-17)15(20)16(21)11-13-3-1-2-4-14(13)12-16/h1-4,19,21H,5-12H2.
What are the key properties of (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 290.36 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71856932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).