4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine

C16H24ClNO2 — CID 114682320

IUPAC4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine
SMILESCCOc1ccccc1OCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C16H24ClNO2/c1-3-19-15-6-4-5-7-16(15)20-11-10-18-9-8-14(17)13(2)12-18/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyXGVDXAIKBUQHLH-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.41
Rot. Bonds6

About 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine

4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine (PubChem CID 114682320) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine
PubChem CID114682320
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine
SMILESCCOc1ccccc1OCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C16H24ClNO2/c1-3-19-15-6-4-5-7-16(15)20-11-10-18-9-8-14(17)13(2)12-18/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyXGVDXAIKBUQHLH-UHFFFAOYSA-N
XLogP3.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine
CID 114800481
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114501023
4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457882
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906
1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine
CID 155801878
6-[2-(2-ethoxyphenoxy)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682265
(3S,4R)-1-[2-(2-ethoxyphenoxy)ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760721
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine?
The IUPAC name of 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine (CID 114682320) is 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine.
What is the SMILES notation for 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine?
The canonical SMILES for 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine is CCOc1ccccc1OCCN1CCC(Cl)C(C)C1.
What is the InChIKey of 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine?
The InChIKey is XGVDXAIKBUQHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-19-15-6-4-5-7-16(15)20-11-10-18-9-8-14(17)13(2)12-18/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine?
4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine has a molecular weight of 297.83 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine is sourced from PubChem (CID 114682320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).