2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol

C17H22N2O — CID 767847

IUPAC2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H22N2O/c20-12-11-18-7-9-19(10-8-18)14-15-5-6-16-3-1-2-4-17(16)13-15/h1-6,13,20H,7-12,14H2
InChIKeyGUIYHSGMULUPEN-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.95
Rot. Bonds4

About 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol

2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 767847) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol
PubChem CID767847
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H22N2O/c20-12-11-18-7-9-19(10-8-18)14-15-5-6-16-3-1-2-4-17(16)13-15/h1-6,13,20H,7-12,14H2
InChIKeyGUIYHSGMULUPEN-UHFFFAOYSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(naphthalen-2-ylmethyl)piperazine
CID 765796
1-(2-Naphthylmethyl)-4-benzylpiperazine
CID 1376821
4-(2-Naphthylmethyl)morpholine
CID 783185
Piperidine, 1-(2-naphthalenylmethyl)-
CID 204543
Hydroxy Terbinafine
CID 21917706
2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
CID 90655530
1-(Naphthalen-2-ylmethyl)piperidin-4-ol
CID 764610
4-(2-Naphthalenylmethyl)-1-piperazinecarboxylic acid ethyl ester
CID 782428
1-[(3-Methylnaphthalen-2-yl)methyl]piperidine
CID 1859634
[4-(2-Hydroxyethyl)-1-piperazinyl]-(4-phenylphenyl)methanethione
CID 848267
DND-167 dye
CID 1072152
Piperidine, 1-(1-naphthylmethyl)-
CID 96143

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol (CID 767847) is 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol is OCCN1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is GUIYHSGMULUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-12-11-18-7-9-19(10-8-18)14-15-5-6-16-3-1-2-4-17(16)13-15/h1-6,13,20H,7-12,14H2.
What are the key properties of 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol?
2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 270.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 767847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).