4-(naphthalen-1-ylmethyl)morpholin-4-ium

C15H18NO+ — CID 6942888

IUPAC4-(naphthalen-1-ylmethyl)morpholin-4-ium
SMILESc1ccc2c(C[NH+]3CCOCC3)cccc2c1
InChIInChI=1S/C15H17NO/c1-2-7-15-13(4-1)5-3-6-14(15)12-16-8-10-17-11-9-16/h1-7H,8-12H2/p+1
InChIKeyGGWYLBCLWGXMMY-UHFFFAOYSA-O
MW228.32 g/mol
LogP1.25
Rot. Bonds2

About 4-(naphthalen-1-ylmethyl)morpholin-4-ium

4-(naphthalen-1-ylmethyl)morpholin-4-ium (PubChem CID 6942888) has the molecular formula C15H18NO+ and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)morpholin-4-ium.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)morpholin-4-ium
PubChem CID6942888
Molecular FormulaC15H18NO+
Molecular Weight228.32 g/mol
Exact Mass228.14
IUPAC Name4-(naphthalen-1-ylmethyl)morpholin-4-ium
SMILESc1ccc2c(C[NH+]3CCOCC3)cccc2c1
InChIInChI=1S/C15H17NO/c1-2-7-15-13(4-1)5-3-6-14(15)12-16-8-10-17-11-9-16/h1-7H,8-12H2/p+1
InChIKeyGGWYLBCLWGXMMY-UHFFFAOYSA-O
XLogP1.25
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(naphthalen-1-ylmethyl)morpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methylphenyl)methyl]morpholin-4-ium
CID 7445084
1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
CID 6927732
[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-ylidene]methanediamine
CID 8007600
4-(2-naphthalen-1-yloxyethyl)morpholin-4-ium
CID 7074084
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 9047105
1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
CID 7026401
1-(naphthalen-1-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
CID 6981606
1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7325686
CID 57419547
CID 57419547
1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
CID 7334376
(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
CID 6939510
4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium
CID 2244994

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)morpholin-4-ium?
The IUPAC name of 4-(naphthalen-1-ylmethyl)morpholin-4-ium (CID 6942888) is 4-(naphthalen-1-ylmethyl)morpholin-4-ium.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)morpholin-4-ium?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)morpholin-4-ium is c1ccc2c(C[NH+]3CCOCC3)cccc2c1.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)morpholin-4-ium?
The InChIKey is GGWYLBCLWGXMMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17NO/c1-2-7-15-13(4-1)5-3-6-14(15)12-16-8-10-17-11-9-16/h1-7H,8-12H2/p+1.
What are the key properties of 4-(naphthalen-1-ylmethyl)morpholin-4-ium?
4-(naphthalen-1-ylmethyl)morpholin-4-ium has a molecular weight of 228.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)morpholin-4-ium is sourced from PubChem (CID 6942888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).