1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine

C18H23N3O — CID 4320420

IUPAC1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESCCOc1cccc(C(c2cccnc2)N2CCNCC2)c1
InChIInChI=1S/C18H23N3O/c1-2-22-17-7-3-5-15(13-17)18(16-6-4-8-20-14-16)21-11-9-19-10-12-21/h3-8,13-14,18-19H,2,9-12H2,1H3
InChIKeySCBFBSROKPVXKW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.47
Rot. Bonds5

About 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine

1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine (PubChem CID 4320420) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
PubChem CID4320420
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESCCOc1cccc(C(c2cccnc2)N2CCNCC2)c1
InChIInChI=1S/C18H23N3O/c1-2-22-17-7-3-5-15(13-17)18(16-6-4-8-20-14-16)21-11-9-19-10-12-21/h3-8,13-14,18-19H,2,9-12H2,1H3
InChIKeySCBFBSROKPVXKW-UHFFFAOYSA-N
XLogP2.47
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 4037248
1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4209261
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(3-phenylmethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane
CID 3770169
1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4295326
1-[(3-ethoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4308636
1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
CID 3810529
1-[(3-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3732221
1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3970423
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3922190
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The IUPAC name of 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine (CID 4320420) is 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine is CCOc1cccc(C(c2cccnc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The InChIKey is SCBFBSROKPVXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-22-17-7-3-5-15(13-17)18(16-6-4-8-20-14-16)21-11-9-19-10-12-21/h3-8,13-14,18-19H,2,9-12H2,1H3.
What are the key properties of 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine?
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine has a molecular weight of 297.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine is sourced from PubChem (CID 4320420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).