1-[6-(3-methoxyphenoxy)hexyl]piperidine

C18H29NO2 — CID 2232457

IUPAC1-[6-(3-methoxyphenoxy)hexyl]piperidine
SMILESCOc1cccc(OCCCCCCN2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-20-17-10-9-11-18(16-17)21-15-8-3-2-5-12-19-13-6-4-7-14-19/h9-11,16H,2-8,12-15H2,1H3
InChIKeyAZQJTSSMZJRGDC-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.12
Rot. Bonds9

About 1-[6-(3-methoxyphenoxy)hexyl]piperidine

1-[6-(3-methoxyphenoxy)hexyl]piperidine (PubChem CID 2232457) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[6-(3-methoxyphenoxy)hexyl]piperidine.

Molecular Properties

Compound Name1-[6-(3-methoxyphenoxy)hexyl]piperidine
PubChem CID2232457
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-[6-(3-methoxyphenoxy)hexyl]piperidine
SMILESCOc1cccc(OCCCCCCN2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-20-17-10-9-11-18(16-17)21-15-8-3-2-5-12-19-13-6-4-7-14-19/h9-11,16H,2-8,12-15H2,1H3
InChIKeyAZQJTSSMZJRGDC-UHFFFAOYSA-N
XLogP4.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.12
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-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
CID 11836207
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
CID 2922693

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxyphenoxy)hexyl]piperidine?
The IUPAC name of 1-[6-(3-methoxyphenoxy)hexyl]piperidine (CID 2232457) is 1-[6-(3-methoxyphenoxy)hexyl]piperidine.
What is the SMILES notation for 1-[6-(3-methoxyphenoxy)hexyl]piperidine?
The canonical SMILES for 1-[6-(3-methoxyphenoxy)hexyl]piperidine is COc1cccc(OCCCCCCN2CCCCC2)c1.
What is the InChIKey of 1-[6-(3-methoxyphenoxy)hexyl]piperidine?
The InChIKey is AZQJTSSMZJRGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-20-17-10-9-11-18(16-17)21-15-8-3-2-5-12-19-13-6-4-7-14-19/h9-11,16H,2-8,12-15H2,1H3.
What are the key properties of 1-[6-(3-methoxyphenoxy)hexyl]piperidine?
1-[6-(3-methoxyphenoxy)hexyl]piperidine has a molecular weight of 291.43 g/mol, XLogP of 4.12, 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]piperidine is sourced from PubChem (CID 2232457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).