2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol

C18H24N2O — CID 82958965

IUPAC2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol
SMILESCCN1CCN(C(C)c2ccc3ccccc3c2O)CC1
InChIInChI=1S/C18H24N2O/c1-3-19-10-12-20(13-11-19)14(2)16-9-8-15-6-4-5-7-17(15)18(16)21/h4-9,14,21H,3,10-13H2,1-2H3
InChIKeyZGGGSNFSRLDSOC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.24
Rot. Bonds3

About 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol

2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol (PubChem CID 82958965) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol
PubChem CID82958965
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol
SMILESCCN1CCN(C(C)c2ccc3ccccc3c2O)CC1
InChIInChI=1S/C18H24N2O/c1-3-19-10-12-20(13-11-19)14(2)16-9-8-15-6-4-5-7-17(15)18(16)21/h4-9,14,21H,3,10-13H2,1-2H3
InChIKeyZGGGSNFSRLDSOC-UHFFFAOYSA-N
XLogP3.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol
CID 104961914
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
CID 95582678
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
CID 79090793
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol
CID 65462107
2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol
CID 141365807
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline
CID 154967774
2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
CID 43207098
1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294389
2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
CID 23082396

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol (CID 82958965) is 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol is CCN1CCN(C(C)c2ccc3ccccc3c2O)CC1.
What is the InChIKey of 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol?
The InChIKey is ZGGGSNFSRLDSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-19-10-12-20(13-11-19)14(2)16-9-8-15-6-4-5-7-17(15)18(16)21/h4-9,14,21H,3,10-13H2,1-2H3.
What are the key properties of 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol?
2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol is sourced from PubChem (CID 82958965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).