4-methyl-3-(3-phenoxypropoxy)piperidine

C15H23NO2 — CID 102954189

IUPAC4-methyl-3-(3-phenoxypropoxy)piperidine
SMILESCC1CCNCC1OCCCOc1ccccc1
InChIInChI=1S/C15H23NO2/c1-13-8-9-16-12-15(13)18-11-5-10-17-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyBCMKNFBUUCOWHT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.47
Rot. Bonds6

About 4-methyl-3-(3-phenoxypropoxy)piperidine

4-methyl-3-(3-phenoxypropoxy)piperidine (PubChem CID 102954189) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-methyl-3-(3-phenoxypropoxy)piperidine.

Molecular Properties

Compound Name4-methyl-3-(3-phenoxypropoxy)piperidine
PubChem CID102954189
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-methyl-3-(3-phenoxypropoxy)piperidine
SMILESCC1CCNCC1OCCCOc1ccccc1
InChIInChI=1S/C15H23NO2/c1-13-8-9-16-12-15(13)18-11-5-10-17-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyBCMKNFBUUCOWHT-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-phenylmethoxypiperidine
CID 102954119
4-methyl-3-octoxypiperidine
CID 102954063
3-hept-6-enoxy-4-methylpiperidine
CID 107007754
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-(2-phenoxyethoxymethyl)pyrrolidine
CID 56829876
4-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 102954007
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine
CID 106264583
2-[2-(4-methylpiperidin-3-yl)oxyethoxy]ethanol
CID 106939216
4-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954056
2-[(4-methylpiperidin-3-yl)oxymethyl]benzamide
CID 102954062
3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine
CID 102954247

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-phenoxypropoxy)piperidine?
The IUPAC name of 4-methyl-3-(3-phenoxypropoxy)piperidine (CID 102954189) is 4-methyl-3-(3-phenoxypropoxy)piperidine.
What is the SMILES notation for 4-methyl-3-(3-phenoxypropoxy)piperidine?
The canonical SMILES for 4-methyl-3-(3-phenoxypropoxy)piperidine is CC1CCNCC1OCCCOc1ccccc1.
What is the InChIKey of 4-methyl-3-(3-phenoxypropoxy)piperidine?
The InChIKey is BCMKNFBUUCOWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-8-9-16-12-15(13)18-11-5-10-17-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3.
What are the key properties of 4-methyl-3-(3-phenoxypropoxy)piperidine?
4-methyl-3-(3-phenoxypropoxy)piperidine has a molecular weight of 249.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-phenoxypropoxy)piperidine is sourced from PubChem (CID 102954189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).