3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine

C24H33NO2 — CID 10001250

IUPAC3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine
SMILESCOc1cccc(CCCCc2ccccc2OCC2CCCN(C)C2)c1
InChIInChI=1S/C24H33NO2/c1-25-16-8-11-21(18-25)19-27-24-15-6-5-13-22(24)12-4-3-9-20-10-7-14-23(17-20)26-2/h5-7,10,13-15,17,21H,3-4,8-9,11-12,16,18-19H2,1-2H3
InChIKeyDDWAVUOYXCFCBW-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.98
Rot. Bonds9

About 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine

3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine (PubChem CID 10001250) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine
PubChem CID10001250
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine
SMILESCOc1cccc(CCCCc2ccccc2OCC2CCCN(C)C2)c1
InChIInChI=1S/C24H33NO2/c1-25-16-8-11-21(18-25)19-27-24-15-6-5-13-22(24)12-4-3-9-20-10-7-14-23(17-20)26-2/h5-7,10,13-15,17,21H,3-4,8-9,11-12,16,18-19H2,1-2H3
InChIKeyDDWAVUOYXCFCBW-UHFFFAOYSA-N
XLogP4.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.98
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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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine?
The IUPAC name of 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine (CID 10001250) is 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine.
What is the SMILES notation for 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine?
The canonical SMILES for 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine is COc1cccc(CCCCc2ccccc2OCC2CCCN(C)C2)c1.
What is the InChIKey of 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine?
The InChIKey is DDWAVUOYXCFCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-25-16-8-11-21(18-25)19-27-24-15-6-5-13-22(24)12-4-3-9-20-10-7-14-23(17-20)26-2/h5-7,10,13-15,17,21H,3-4,8-9,11-12,16,18-19H2,1-2H3.
What are the key properties of 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine?
3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine has a molecular weight of 367.53 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine is sourced from PubChem (CID 10001250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).