1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine

C17H26ClNO — CID 82214723

IUPAC1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine
SMILESCOc1ccc(C)cc1C(Cl)CN1C(C)CCCC1C
InChIInChI=1S/C17H26ClNO/c1-12-8-9-17(20-4)15(10-12)16(18)11-19-13(2)6-5-7-14(19)3/h8-10,13-14,16H,5-7,11H2,1-4H3
InChIKeyWPKLHPLSHSKZGG-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.55
Rot. Bonds4

About 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine

1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine (PubChem CID 82214723) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine
PubChem CID82214723
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine
SMILESCOc1ccc(C)cc1C(Cl)CN1C(C)CCCC1C
InChIInChI=1S/C17H26ClNO/c1-12-8-9-17(20-4)15(10-12)16(18)11-19-13(2)6-5-7-14(19)3/h8-10,13-14,16H,5-7,11H2,1-4H3
InChIKeyWPKLHPLSHSKZGG-UHFFFAOYSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine
CID 82214719
2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
CID 65428310
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
CID 43098495
3-chloro-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366778
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 34886987
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65320598
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine?
The IUPAC name of 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine (CID 82214723) is 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine.
What is the SMILES notation for 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine?
The canonical SMILES for 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine is COc1ccc(C)cc1C(Cl)CN1C(C)CCCC1C.
What is the InChIKey of 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine?
The InChIKey is WPKLHPLSHSKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-12-8-9-17(20-4)15(10-12)16(18)11-19-13(2)6-5-7-14(19)3/h8-10,13-14,16H,5-7,11H2,1-4H3.
What are the key properties of 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine?
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine has a molecular weight of 295.85 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine is sourced from PubChem (CID 82214723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).