1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine

C21H29NO — CID 11558654

IUPAC1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine
SMILESCOc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1
InChIInChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3
InChIKeyHEJUEEXYUQOATI-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.90
Rot. Bonds6

About 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine

1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine (PubChem CID 11558654) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine
PubChem CID11558654
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine
SMILESCOc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1
InChIInChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3
InChIKeyHEJUEEXYUQOATI-UHFFFAOYSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine?
The IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine (CID 11558654) is 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine.
What is the SMILES notation for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine?
The canonical SMILES for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine is COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1.
What is the InChIKey of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine?
The InChIKey is HEJUEEXYUQOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3.
What are the key properties of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine?
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine has a molecular weight of 311.47 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine is sourced from PubChem (CID 11558654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).