2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol

C16H24N2O — CID 63634001

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
SMILESCCC1CN(C2Cc3ccccc3C2O)CCN1C
InChIInChI=1S/C16H24N2O/c1-3-13-11-18(9-8-17(13)2)15-10-12-6-4-5-7-14(12)16(15)19/h4-7,13,15-16,19H,3,8-11H2,1-2H3
InChIKeyNTEGNHIEMRFVRC-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.67
Rot. Bonds2

About 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol

2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 63634001) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
PubChem CID63634001
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
SMILESCCC1CN(C2Cc3ccccc3C2O)CCN1C
InChIInChI=1S/C16H24N2O/c1-3-13-11-18(9-8-17(13)2)15-10-12-6-4-5-7-14(12)16(15)19/h4-7,13,15-16,19H,3,8-11H2,1-2H3
InChIKeyNTEGNHIEMRFVRC-UHFFFAOYSA-N
XLogP1.67
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol (CID 63634001) is 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol is CCC1CN(C2Cc3ccccc3C2O)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is NTEGNHIEMRFVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13-11-18(9-8-17(13)2)15-10-12-6-4-5-7-14(12)16(15)19/h4-7,13,15-16,19H,3,8-11H2,1-2H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol?
2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 260.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 63634001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).