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

C16H24N2O2 — CID 147843371

IUPAC[7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC3=C(C2)C(CO)CCC3)CC1
InChIInChI=1S/C16H24N2O2/c1-17-5-7-18(8-6-17)16(20)14-9-12-3-2-4-13(11-19)15(12)10-14/h9,13,19H,2-8,10-11H2,1H3
InChIKeyHTKIBCZDQAHNLF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.18
Rot. Bonds2

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

[7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 147843371) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID147843371
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC3=C(C2)C(CO)CCC3)CC1
InChIInChI=1S/C16H24N2O2/c1-17-5-7-18(8-6-17)16(20)14-9-12-3-2-4-13(11-19)15(12)10-14/h9,13,19H,2-8,10-11H2,1H3
InChIKeyHTKIBCZDQAHNLF-UHFFFAOYSA-N
XLogP1.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(5-fluoro-4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 161730060
(4-methylpiperazin-1-yl)-(5-propyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methanone
CID 149551549
(7-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 159247672
(5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 161010056
(4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 161104036
2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 38030146
[6-(Dihydroxymethyl)-3-ethylcyclohexen-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 73950593
2-[4-(Hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 85500844

Frequently Asked Questions

What is the IUPAC name of [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 147843371) is [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2=CC3=C(C2)C(CO)CCC3)CC1.
What is the InChIKey of [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HTKIBCZDQAHNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-5-7-18(8-6-17)16(20)14-9-12-3-2-4-13(11-19)15(12)10-14/h9,13,19H,2-8,10-11H2,1H3.
What are the key properties of [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone?
[7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 147843371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).