4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine

C20H27N3O — CID 126812748

IUPAC4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine
SMILESCCN1CCN(Cc2ccc(OCc3ccccn3)cc2)C(C)C1
InChIInChI=1S/C20H27N3O/c1-3-22-12-13-23(17(2)14-22)15-18-7-9-20(10-8-18)24-16-19-6-4-5-11-21-19/h4-11,17H,3,12-16H2,1-2H3
InChIKeyDFZDVFMZFUGDOZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.19
Rot. Bonds6

About 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine

4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine (PubChem CID 126812748) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine
PubChem CID126812748
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine
SMILESCCN1CCN(Cc2ccc(OCc3ccccn3)cc2)C(C)C1
InChIInChI=1S/C20H27N3O/c1-3-22-12-13-23(17(2)14-22)15-18-7-9-20(10-8-18)24-16-19-6-4-5-11-21-19/h4-11,17H,3,12-16H2,1-2H3
InChIKeyDFZDVFMZFUGDOZ-UHFFFAOYSA-N
XLogP3.19
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129454913
(1R,5S)-6-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
CID 154901016
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
(3S,4S)-4-(4-methylpiperazin-1-yl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129458176
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86860831
N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 95569682
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816
methyl 3-[(3S)-3-methyl-4-[4-(pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]propanoate
CID 97334916

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine?
The IUPAC name of 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine (CID 126812748) is 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine is CCN1CCN(Cc2ccc(OCc3ccccn3)cc2)C(C)C1.
What is the InChIKey of 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine?
The InChIKey is DFZDVFMZFUGDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-22-12-13-23(17(2)14-22)15-18-7-9-20(10-8-18)24-16-19-6-4-5-11-21-19/h4-11,17H,3,12-16H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine?
4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine has a molecular weight of 325.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 126812748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).