[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone

C17H20N2O2 — CID 43390847

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(CCO)CC1
InChIInChI=1S/C17H20N2O2/c20-12-11-18-7-9-19(10-8-18)17(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,20H,7-12H2
InChIKeyBLLRLCSBAMCMLI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.59
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone

[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 43390847) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID43390847
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(CCO)CC1
InChIInChI=1S/C17H20N2O2/c20-12-11-18-7-9-19(10-8-18)17(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,20H,7-12H2
InChIKeyBLLRLCSBAMCMLI-UHFFFAOYSA-N
XLogP1.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetonitrile
CID 60728604
naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 17108671
[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 10527563
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 71783190
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone (CID 43390847) is [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is BLLRLCSBAMCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-12-11-18-7-9-19(10-8-18)17(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,20H,7-12H2.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 284.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 43390847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).