2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride

C16H26Cl2N2O — CID 90665038

IUPAC2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C16H24N2O.2ClH/c19-12-11-17-7-9-18(10-8-17)16-6-5-14-3-1-2-4-15(14)13-16;;/h1-4,16,19H,5-13H2;2*1H
InChIKeyBGUAKBFISGTOLY-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.00
Rot. Bonds3

About 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride

2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride (PubChem CID 90665038) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride
PubChem CID90665038
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C16H24N2O.2ClH/c19-12-11-17-7-9-18(10-8-17)16-6-5-14-3-1-2-4-15(14)13-16;;/h1-4,16,19H,5-13H2;2*1H
InChIKeyBGUAKBFISGTOLY-UHFFFAOYSA-N
XLogP2.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride (CID 90665038) is 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride is Cl.Cl.OCCN1CCN(C2CCc3ccccc3C2)CC1.
What is the InChIKey of 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride?
The InChIKey is BGUAKBFISGTOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.2ClH/c19-12-11-17-7-9-18(10-8-17)16-6-5-14-3-1-2-4-15(14)13-16;;/h1-4,16,19H,5-13H2;2*1H.
What are the key properties of 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride?
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride has a molecular weight of 333.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 90665038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).