1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine

C16H25NO2 — CID 2923449

IUPAC1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine
SMILESCOc1ccc(OCCCN2CCCC(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-14-5-3-10-17(13-14)11-4-12-19-16-8-6-15(18-2)7-9-16/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyCTJUFJUWNLQQGI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.20
Rot. Bonds6

About 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine

1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine (PubChem CID 2923449) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine
PubChem CID2923449
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine
SMILESCOc1ccc(OCCCN2CCCC(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-14-5-3-10-17(13-14)11-4-12-19-16-8-6-15(18-2)7-9-16/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyCTJUFJUWNLQQGI-UHFFFAOYSA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.20
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

Pramoxine
CID 4886
Pramoxine Hydrochloride
CID 73957
(+)-Femoxetine
CID 3012003
1-(4-Phenoxybutyl)piperidine
CID 2057411
1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
N,N-Dimethyl-2-(4-Phenoxyphenoxy)ethanamine
CID 87057595
3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947379
N,N-dimethyl-3-phenyl-3-(4-(3-(piperidin-1-yl)propoxy)phenoxy)propan-1-amine
CID 24948507
4-[3-(3-Methylphenoxy)propyl]morpholine
CID 2057395
4-[3-(4-Methylphenoxy)propyl]morpholine
CID 2202870
4-[5-(3-Methylphenoxy)pentyl]morpholine
CID 2202905
1-(3-(4-(Fluoromethyl)phenoxy)propyl)piperidine
CID 44592096

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine?
The IUPAC name of 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine (CID 2923449) is 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine.
What is the SMILES notation for 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine?
The canonical SMILES for 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine is COc1ccc(OCCCN2CCCC(C)C2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine?
The InChIKey is CTJUFJUWNLQQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-5-3-10-17(13-14)11-4-12-19-16-8-6-15(18-2)7-9-16/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine?
1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine has a molecular weight of 263.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenoxy)propyl]-3-methylpiperidine is sourced from PubChem (CID 2923449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).