1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine

C19H25N3O2 — CID 4222145

IUPAC1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESCCOc1cc(C(c2cccnc2)N2CCNCC2)ccc1OC
InChIInChI=1S/C19H25N3O2/c1-3-24-18-13-15(6-7-17(18)23-2)19(16-5-4-8-21-14-16)22-11-9-20-10-12-22/h4-8,13-14,19-20H,3,9-12H2,1-2H3
InChIKeyNGENBSBUKZMYOT-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.48
Rot. Bonds6

About 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine

1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine (PubChem CID 4222145) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
PubChem CID4222145
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESCCOc1cc(C(c2cccnc2)N2CCNCC2)ccc1OC
InChIInChI=1S/C19H25N3O2/c1-3-24-18-13-15(6-7-17(18)23-2)19(16-5-4-8-21-14-16)22-11-9-20-10-12-22/h4-8,13-14,19-20H,3,9-12H2,1-2H3
InChIKeyNGENBSBUKZMYOT-UHFFFAOYSA-N
XLogP2.48
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3826604
1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4295326
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3663774
1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
CID 3874213
1-[(4-ethoxy-3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3804047
1-[(S)-(3-ethoxy-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280909

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine (CID 4222145) is 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine is CCOc1cc(C(c2cccnc2)N2CCNCC2)ccc1OC.
What is the InChIKey of 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The InChIKey is NGENBSBUKZMYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-24-18-13-15(6-7-17(18)23-2)19(16-5-4-8-21-14-16)22-11-9-20-10-12-22/h4-8,13-14,19-20H,3,9-12H2,1-2H3.
What are the key properties of 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine?
1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine has a molecular weight of 327.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine is sourced from PubChem (CID 4222145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).