(4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone

C15H22N2O2 — CID 161104036

IUPAC(4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC3=C(CCCC3O)C2)CC1
InChIInChI=1S/C15H22N2O2/c1-16-5-7-17(8-6-16)15(19)12-9-11-3-2-4-14(18)13(11)10-12/h10,14,18H,2-9H2,1H3
InChIKeyUIUTXZGUEISNFL-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.93
Rot. Bonds1

About (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone

(4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 161104036) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID161104036
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC3=C(CCCC3O)C2)CC1
InChIInChI=1S/C15H22N2O2/c1-16-5-7-17(8-6-16)15(19)12-9-11-3-2-4-14(18)13(11)10-12/h10,14,18H,2-9H2,1H3
InChIKeyUIUTXZGUEISNFL-UHFFFAOYSA-N
XLogP0.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,5-Difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 158085543
(5-fluoro-4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 161730060
[7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 147843371
(4-Hydroxy-1,4,5,6-tetrahydropentalen-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 148995560
(7-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 157960354
(6-Hydroxy-1,4,5,6-tetrahydropentalen-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 160102044

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 161104036) is (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2=CC3=C(CCCC3O)C2)CC1.
What is the InChIKey of (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is UIUTXZGUEISNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-5-7-17(8-6-16)15(19)12-9-11-3-2-4-14(18)13(11)10-12/h10,14,18H,2-9H2,1H3.
What are the key properties of (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone?
(4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 161104036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).