1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine

C14H20ClNO2 — CID 45252246

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
SMILESCOC1CCCN(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO2/c1-17-14-3-2-8-16(11-14)9-10-18-13-6-4-12(15)5-7-13/h4-7,14H,2-3,8-11H2,1H3
InChIKeyDFNLEDKRPDALNQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine

1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine (PubChem CID 45252246) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
PubChem CID45252246
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
SMILESCOC1CCCN(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO2/c1-17-14-3-2-8-16(11-14)9-10-18-13-6-4-12(15)5-7-13/h4-7,14H,2-3,8-11H2,1H3
InChIKeyDFNLEDKRPDALNQ-UHFFFAOYSA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102968100
2-[2-(4-chlorophenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235631
4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide
CID 102958539
5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60525893
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285
3-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarbothioamide
CID 102958115
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
3-[4-[2-(3-methoxypyrrolidin-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 103537583
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol
CID 10299856

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine (CID 45252246) is 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine is COC1CCCN(CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine?
The InChIKey is DFNLEDKRPDALNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-17-14-3-2-8-16(11-14)9-10-18-13-6-4-12(15)5-7-13/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine?
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine has a molecular weight of 269.77 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine is sourced from PubChem (CID 45252246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).