1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine

C17H26ClNO — CID 2935991

IUPAC1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
SMILESCCc1cc(OCCCN2CCCC(C)C2)ccc1Cl
InChIInChI=1S/C17H26ClNO/c1-3-15-12-16(7-8-17(15)18)20-11-5-10-19-9-4-6-14(2)13-19/h7-8,12,14H,3-6,9-11,13H2,1-2H3
InChIKeyFLHHXWHCJGRIJL-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.40
Rot. Bonds6

About 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine

1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine (PubChem CID 2935991) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
PubChem CID2935991
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
SMILESCCc1cc(OCCCN2CCCC(C)C2)ccc1Cl
InChIInChI=1S/C17H26ClNO/c1-3-15-12-16(7-8-17(15)18)20-11-5-10-19-9-4-6-14(2)13-19/h7-8,12,14H,3-6,9-11,13H2,1-2H3
InChIKeyFLHHXWHCJGRIJL-UHFFFAOYSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2182939
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
CID 2181266
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
3-methyl-1-[3-(3-methyl-4-nitrophenoxy)propyl]piperidine
CID 2935046
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
1-ethyl-5-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67282721
1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67281880
1-[3-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine
CID 973456

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine?
The IUPAC name of 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine (CID 2935991) is 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine.
What is the SMILES notation for 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine?
The canonical SMILES for 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine is CCc1cc(OCCCN2CCCC(C)C2)ccc1Cl.
What is the InChIKey of 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine?
The InChIKey is FLHHXWHCJGRIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-15-12-16(7-8-17(15)18)20-11-5-10-19-9-4-6-14(2)13-19/h7-8,12,14H,3-6,9-11,13H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine?
1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine has a molecular weight of 295.85 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine is sourced from PubChem (CID 2935991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).