2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine

C20H24ClNO — CID 54501628

IUPAC2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine
SMILESCN1CCCCC1CC(Oc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H24ClNO/c1-22-14-8-7-11-17(22)15-20(16-9-3-2-4-10-16)23-19-13-6-5-12-18(19)21/h2-6,9-10,12-13,17,20H,7-8,11,14-15H2,1H3
InChIKeyYCVMQEQELWWUQI-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.33
Rot. Bonds5

About 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine

2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine (PubChem CID 54501628) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine
PubChem CID54501628
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine
SMILESCN1CCCCC1CC(Oc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H24ClNO/c1-22-14-8-7-11-17(22)15-20(16-9-3-2-4-10-16)23-19-13-6-5-12-18(19)21/h2-6,9-10,12-13,17,20H,7-8,11,14-15H2,1H3
InChIKeyYCVMQEQELWWUQI-UHFFFAOYSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54224947
2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine
CID 23339220
(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
CID 11708725
2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
CID 54181155
[4-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54137242
6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287349
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
1-methyl-2-[2-phenyl-2-[4-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine
CID 57037717
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334
N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
CID 63455775
1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine
CID 146188955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine?
The IUPAC name of 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine (CID 54501628) is 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine is CN1CCCCC1CC(Oc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine?
The InChIKey is YCVMQEQELWWUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-22-14-8-7-11-17(22)15-20(16-9-3-2-4-10-16)23-19-13-6-5-12-18(19)21/h2-6,9-10,12-13,17,20H,7-8,11,14-15H2,1H3.
What are the key properties of 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine?
2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine has a molecular weight of 329.87 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine is sourced from PubChem (CID 54501628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).