1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine

C16H24ClNO — CID 159435771

IUPAC1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
SMILESCCC1CCN(CCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNO/c1-2-14-8-11-18(12-9-14)10-3-13-19-16-6-4-15(17)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyQURCGYYWKPUELY-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.23
Rot. Bonds6

About 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine

1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine (PubChem CID 159435771) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
PubChem CID159435771
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
SMILESCCC1CCN(CCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNO/c1-2-14-8-11-18(12-9-14)10-3-13-19-16-6-4-15(17)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyQURCGYYWKPUELY-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927795
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
tert-butyl 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]acetate
CID 158514756
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide
CID 153436133
[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 44907120
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine (CID 159435771) is 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine is CCC1CCN(CCCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine?
The InChIKey is QURCGYYWKPUELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-14-8-11-18(12-9-14)10-3-13-19-16-6-4-15(17)5-7-16/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine?
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine has a molecular weight of 281.83 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine is sourced from PubChem (CID 159435771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).