1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride

C24H34ClNO — CID 57497614

IUPAC1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
SMILESCN1CCCCC1CCOc1ccccc1CCCCc1ccccc1.Cl
InChIInChI=1S/C24H33NO.ClH/c1-25-19-10-9-16-23(25)18-20-26-24-17-8-7-15-22(24)14-6-5-13-21-11-3-2-4-12-21;/h2-4,7-8,11-12,15,17,23H,5-6,9-10,13-14,16,18-20H2,1H3;1H
InChIKeyXIUJIQRZZGDASF-UHFFFAOYSA-N
MW388.00 g/mol
LogP5.93
Rot. Bonds9

About 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride

1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride (PubChem CID 57497614) has the molecular formula C24H34ClNO and a molecular weight of 388.00 g/mol. Its IUPAC name is 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
PubChem CID57497614
Molecular FormulaC24H34ClNO
Molecular Weight388.00 g/mol
Exact Mass387.23
IUPAC Name1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
SMILESCN1CCCCC1CCOc1ccccc1CCCCc1ccccc1.Cl
InChIInChI=1S/C24H33NO.ClH/c1-25-19-10-9-16-23(25)18-20-26-24-17-8-7-15-22(24)14-6-5-13-21-11-3-2-4-12-21;/h2-4,7-8,11-12,15,17,23H,5-6,9-10,13-14,16,18-20H2,1H3;1H
InChIKeyXIUJIQRZZGDASF-UHFFFAOYSA-N
XLogP5.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.00
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 15896863
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
tert-butyl 2-[2-[2-[4-(4-methoxyphenyl)butyl]phenoxy]ethyl]piperidine-1-carboxylate
CID 139719883
butyl 2-[2-[2-[4-(3-methoxyphenyl)butyl]phenoxy]ethyl]piperidine-1-carboxylate
CID 151773902

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride (CID 57497614) is 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride is CN1CCCCC1CCOc1ccccc1CCCCc1ccccc1.Cl.
What is the InChIKey of 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride?
The InChIKey is XIUJIQRZZGDASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO.ClH/c1-25-19-10-9-16-23(25)18-20-26-24-17-8-7-15-22(24)14-6-5-13-21-11-3-2-4-12-21;/h2-4,7-8,11-12,15,17,23H,5-6,9-10,13-14,16,18-20H2,1H3;1H.
What are the key properties of 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride?
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride has a molecular weight of 388.00 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 57497614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).