2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride

C17H23ClN2O2 — CID 19808502

IUPAC2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride
SMILESCOc1ccc2cccc(N3CCN(CCO)CC3)c2c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-21-15-6-5-14-3-2-4-17(16(14)13-15)19-9-7-18(8-10-19)11-12-20;/h2-6,13,20H,7-12H2,1H3;1H
InChIKeyUKYGLMPWTRGIMS-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.38
Rot. Bonds4

About 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride

2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride (PubChem CID 19808502) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride
PubChem CID19808502
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride
SMILESCOc1ccc2cccc(N3CCN(CCO)CC3)c2c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-21-15-6-5-14-3-2-4-17(16(14)13-15)19-9-7-18(8-10-19)11-12-20;/h2-6,13,20H,7-12H2,1H3;1H
InChIKeyUKYGLMPWTRGIMS-UHFFFAOYSA-N
XLogP2.38
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride (CID 19808502) is 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride is COc1ccc2cccc(N3CCN(CCO)CC3)c2c1.Cl.
What is the InChIKey of 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is UKYGLMPWTRGIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-21-15-6-5-14-3-2-4-17(16(14)13-15)19-9-7-18(8-10-19)11-12-20;/h2-6,13,20H,7-12H2,1H3;1H.
What are the key properties of 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride?
2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 19808502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).