1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride

C16H21ClN2 — CID 45263166

IUPAC1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride
SMILESCCc1cc(N2CCNCC2)c2ccccc2c1.Cl
InChIInChI=1S/C16H20N2.ClH/c1-2-13-11-14-5-3-4-6-15(14)16(12-13)18-9-7-17-8-10-18;/h3-6,11-12,17H,2,7-10H2,1H3;1H
InChIKeyGOMNXLXFFKWMSG-UHFFFAOYSA-N
MW276.81 g/mol
LogP3.23
Rot. Bonds2

About 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride

1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride (PubChem CID 45263166) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride
PubChem CID45263166
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride
SMILESCCc1cc(N2CCNCC2)c2ccccc2c1.Cl
InChIInChI=1S/C16H20N2.ClH/c1-2-13-11-14-5-3-4-6-15(14)16(12-13)18-9-7-17-8-10-18;/h3-6,11-12,17H,2,7-10H2,1H3;1H
InChIKeyGOMNXLXFFKWMSG-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride?
The IUPAC name of 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride (CID 45263166) is 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride is CCc1cc(N2CCNCC2)c2ccccc2c1.Cl.
What is the InChIKey of 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride?
The InChIKey is GOMNXLXFFKWMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.ClH/c1-2-13-11-14-5-3-4-6-15(14)16(12-13)18-9-7-17-8-10-18;/h3-6,11-12,17H,2,7-10H2,1H3;1H.
What are the key properties of 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride?
1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylnaphthalen-1-yl)piperazine;hydrochloride is sourced from PubChem (CID 45263166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).