1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine

C20H21NO — CID 134126073

IUPAC1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(C#Cc3ccccc3)cc2)CC1
InChIInChI=1S/C20H21NO/c1-21-15-13-20(14-16-21)22-19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17/h2-6,9-12,20H,13-16H2,1H3
InChIKeyPIZOKLAWCXUJLH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.56
Rot. Bonds2

About 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine

1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine (PubChem CID 134126073) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine
PubChem CID134126073
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(C#Cc3ccccc3)cc2)CC1
InChIInChI=1S/C20H21NO/c1-21-15-13-20(14-16-21)22-19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17/h2-6,9-12,20H,13-16H2,1H3
InChIKeyPIZOKLAWCXUJLH-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine
CID 18723191
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
CID 117488545
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
ethane;4-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenoxy]-1-methylpiperidine
CID 143692371

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine?
The IUPAC name of 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine (CID 134126073) is 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine?
The canonical SMILES for 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine is CN1CCC(Oc2ccc(C#Cc3ccccc3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine?
The InChIKey is PIZOKLAWCXUJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-21-15-13-20(14-16-21)22-19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17/h2-6,9-12,20H,13-16H2,1H3.
What are the key properties of 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine?
1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine has a molecular weight of 291.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine is sourced from PubChem (CID 134126073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).