1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine

C17H26ClNO — CID 82215146

IUPAC1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine
SMILESCCOc1ccccc1C(Cl)CN1CC(C)CC(C)C1
InChIInChI=1S/C17H26ClNO/c1-4-20-17-8-6-5-7-15(17)16(18)12-19-10-13(2)9-14(3)11-19/h5-8,13-14,16H,4,9-12H2,1-3H3
InChIKeyUVODLPSLGSYLHY-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.34
Rot. Bonds5

About 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine

1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine (PubChem CID 82215146) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine
PubChem CID82215146
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine
SMILESCCOc1ccccc1C(Cl)CN1CC(C)CC(C)C1
InChIInChI=1S/C17H26ClNO/c1-4-20-17-8-6-5-7-15(17)16(18)12-19-10-13(2)9-14(3)11-19/h5-8,13-14,16H,4,9-12H2,1-3H3
InChIKeyUVODLPSLGSYLHY-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.34
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

4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine
CID 82215121
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
CID 43794286
1-(3,5-dimethylcyclohexyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533801
1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452250
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575182
3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 82073989
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
CID 63543511
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline
CID 82215171

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine (CID 82215146) is 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine is CCOc1ccccc1C(Cl)CN1CC(C)CC(C)C1.
What is the InChIKey of 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine?
The InChIKey is UVODLPSLGSYLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-20-17-8-6-5-7-15(17)16(18)12-19-10-13(2)9-14(3)11-19/h5-8,13-14,16H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine?
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine has a molecular weight of 295.85 g/mol, XLogP of 4.34, 5 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-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 82215146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).