1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine

C18H28N2O2 — CID 117489901

IUPAC1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine
SMILESCOc1cc(N2CCCCC2)c(OC)cc1C1CCCNC1
InChIInChI=1S/C18H28N2O2/c1-21-17-12-16(20-9-4-3-5-10-20)18(22-2)11-15(17)14-7-6-8-19-13-14/h11-12,14,19H,3-10,13H2,1-2H3
InChIKeyLXDBFVUQWXOPNG-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.16
Rot. Bonds4

About 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine

1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine (PubChem CID 117489901) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine
PubChem CID117489901
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine
SMILESCOc1cc(N2CCCCC2)c(OC)cc1C1CCCNC1
InChIInChI=1S/C18H28N2O2/c1-21-17-12-16(20-9-4-3-5-10-20)18(22-2)11-15(17)14-7-6-8-19-13-14/h11-12,14,19H,3-10,13H2,1-2H3
InChIKeyLXDBFVUQWXOPNG-UHFFFAOYSA-N
XLogP3.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
(3S)-3-(2,5-dimethoxy-4-methylphenyl)-1-methylpiperidine;(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine;hydrochloride
CID 160731871
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine
CID 178136922
3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
CID 117347386
(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine?
The IUPAC name of 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine (CID 117489901) is 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine?
The canonical SMILES for 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine is COc1cc(N2CCCCC2)c(OC)cc1C1CCCNC1.
What is the InChIKey of 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine?
The InChIKey is LXDBFVUQWXOPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-21-17-12-16(20-9-4-3-5-10-20)18(22-2)11-15(17)14-7-6-8-19-13-14/h11-12,14,19H,3-10,13H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine?
1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine has a molecular weight of 304.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine is sourced from PubChem (CID 117489901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).