1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine

C23H26N2O — CID 69227426

IUPAC1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine
SMILESc1ccc(C(COCc2cccc3ccccc23)N2CCNCC2)cc1
InChIInChI=1S/C23H26N2O/c1-2-8-20(9-3-1)23(25-15-13-24-14-16-25)18-26-17-21-11-6-10-19-7-4-5-12-22(19)21/h1-12,23-24H,13-18H2
InChIKeyZUOTVIOAHIJHRM-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.00
Rot. Bonds6

About 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine

1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine (PubChem CID 69227426) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine
PubChem CID69227426
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine
SMILESc1ccc(C(COCc2cccc3ccccc23)N2CCNCC2)cc1
InChIInChI=1S/C23H26N2O/c1-2-8-20(9-3-1)23(25-15-13-24-14-16-25)18-26-17-21-11-6-10-19-7-4-5-12-22(19)21/h1-12,23-24H,13-18H2
InChIKeyZUOTVIOAHIJHRM-UHFFFAOYSA-N
XLogP4.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine
CID 82353012
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-(2-chloro-1-phenylethyl)piperazine
CID 59260605
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride
CID 171294063
4-(naphthalen-1-ylmethoxy)piperidine
CID 13194444
1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride
CID 171181642
1-[(1S)-3-methyl-1-phenylbut-3-enyl]piperazine;dihydrochloride
CID 171282917

Frequently Asked Questions

What is the IUPAC name of 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine?
The IUPAC name of 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine (CID 69227426) is 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine.
What is the SMILES notation for 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine?
The canonical SMILES for 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine is c1ccc(C(COCc2cccc3ccccc23)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine?
The InChIKey is ZUOTVIOAHIJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-8-20(9-3-1)23(25-15-13-24-14-16-25)18-26-17-21-11-6-10-19-7-4-5-12-22(19)21/h1-12,23-24H,13-18H2.
What are the key properties of 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine?
1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine has a molecular weight of 346.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine is sourced from PubChem (CID 69227426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).