1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium

C19H26NO+ — CID 2057909

IUPAC1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium
SMILESc1ccc2c(OCCCC[NH+]3CCCCC3)cccc2c1
InChIInChI=1S/C19H25NO/c1-4-13-20(14-5-1)15-6-7-16-21-19-12-8-10-17-9-2-3-11-18(17)19/h2-3,8-12H,1,4-7,13-16H2/p+1
InChIKeyRERJLKPBYHAGDX-UHFFFAOYSA-O
MW284.42 g/mol
LogP3.07
Rot. Bonds6

About 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium

1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium (PubChem CID 2057909) has the molecular formula C19H26NO+ and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium.

Molecular Properties

Compound Name1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium
PubChem CID2057909
Molecular FormulaC19H26NO+
Molecular Weight284.42 g/mol
Exact Mass284.20
IUPAC Name1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium
SMILESc1ccc2c(OCCCC[NH+]3CCCCC3)cccc2c1
InChIInChI=1S/C19H25NO/c1-4-13-20(14-5-1)15-6-7-16-21-19-12-8-10-17-9-2-3-11-18(17)19/h2-3,8-12H,1,4-7,13-16H2/p+1
InChIKeyRERJLKPBYHAGDX-UHFFFAOYSA-O
XLogP3.07
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium
CID 2237951
1-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium
CID 2262417
1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
CID 2304779
1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium
CID 2057428
1-[4-(2,3-dichlorophenoxy)butyl]pyrrolidin-1-ium
CID 2262554
4-(2-naphthalen-1-yloxyethyl)morpholin-4-ium
CID 7074084
1-[4-[2-[(2R)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194726
1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194728
1-[3-(2,3-dichlorophenoxy)propyl]piperidin-1-ium
CID 2262285
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7385672
1-(3-chloropropoxy)naphthalene
CID 12685615

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium?
The IUPAC name of 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium (CID 2057909) is 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium.
What is the SMILES notation for 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium?
The canonical SMILES for 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium is c1ccc2c(OCCCC[NH+]3CCCCC3)cccc2c1.
What is the InChIKey of 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium?
The InChIKey is RERJLKPBYHAGDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25NO/c1-4-13-20(14-5-1)15-6-7-16-21-19-12-8-10-17-9-2-3-11-18(17)19/h2-3,8-12H,1,4-7,13-16H2/p+1.
What are the key properties of 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium?
1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium has a molecular weight of 284.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium is sourced from PubChem (CID 2057909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).