1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride

C18H29ClN2O2 — CID 15945835

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCCN1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-2-19-8-10-20(11-9-19)13-17(21)14-22-18-7-6-15-4-3-5-16(15)12-18;/h6-7,12,17,21H,2-5,8-11,13-14H2,1H3;1H
InChIKeyPVAXNODSIIKLFA-UHFFFAOYSA-N
MW340.90 g/mol
LogP1.97
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride

1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride (PubChem CID 15945835) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride
PubChem CID15945835
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCCN1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-2-19-8-10-20(11-9-19)13-17(21)14-22-18-7-6-15-4-3-5-16(15)12-18;/h6-7,12,17,21H,2-5,8-11,13-14H2,1H3;1H
InChIKeyPVAXNODSIIKLFA-UHFFFAOYSA-N
XLogP1.97
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride (CID 15945835) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride is CCN1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1.Cl.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is PVAXNODSIIKLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-2-19-8-10-20(11-9-19)13-17(21)14-22-18-7-6-15-4-3-5-16(15)12-18;/h6-7,12,17,21H,2-5,8-11,13-14H2,1H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 15945835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).