1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine

C19H31NO2 — CID 11836207

IUPAC1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
SMILESCOc1cccc(OCCCCCCN2CCC(C)CC2)c1
InChIInChI=1S/C19H31NO2/c1-17-10-13-20(14-11-17)12-5-3-4-6-15-22-19-9-7-8-18(16-19)21-2/h7-9,16-17H,3-6,10-15H2,1-2H3
InChIKeyUIHHRYGOOHXZJD-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.37
Rot. Bonds9

About 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine

1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine (PubChem CID 11836207) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
PubChem CID11836207
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
SMILESCOc1cccc(OCCCCCCN2CCC(C)CC2)c1
InChIInChI=1S/C19H31NO2/c1-17-10-13-20(14-11-17)12-5-3-4-6-15-22-19-9-7-8-18(16-19)21-2/h7-9,16-17H,3-6,10-15H2,1-2H3
InChIKeyUIHHRYGOOHXZJD-UHFFFAOYSA-N
XLogP4.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
CID 2888640
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
CID 11674649
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
4-[4-(4-methylpiperidin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2993269
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine?
The IUPAC name of 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine (CID 11836207) is 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine.
What is the SMILES notation for 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine?
The canonical SMILES for 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine is COc1cccc(OCCCCCCN2CCC(C)CC2)c1.
What is the InChIKey of 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine?
The InChIKey is UIHHRYGOOHXZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-17-10-13-20(14-11-17)12-5-3-4-6-15-22-19-9-7-8-18(16-19)21-2/h7-9,16-17H,3-6,10-15H2,1-2H3.
What are the key properties of 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine?
1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine has a molecular weight of 305.46 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine is sourced from PubChem (CID 11836207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).