1-[(4-ethoxy-2-pyridinyl)methyl]piperazine

C12H19N3O — CID 83890072

IUPAC1-[(4-ethoxy-2-pyridinyl)methyl]piperazine
SMILESCCOc1ccnc(CN2CCNCC2)c1
InChIInChI=1S/C12H19N3O/c1-2-16-12-3-4-14-11(9-12)10-15-7-5-13-6-8-15/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyUXHTVAFBZHPYBG-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.89
Rot. Bonds4

About 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine

1-[(4-ethoxy-2-pyridinyl)methyl]piperazine (PubChem CID 83890072) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-ethoxy-2-pyridinyl)methyl]piperazine
PubChem CID83890072
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[(4-ethoxy-2-pyridinyl)methyl]piperazine
SMILESCCOc1ccnc(CN2CCNCC2)c1
InChIInChI=1S/C12H19N3O/c1-2-16-12-3-4-14-11(9-12)10-15-7-5-13-6-8-15/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyUXHTVAFBZHPYBG-UHFFFAOYSA-N
XLogP0.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid
CID 167924639
2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde
CID 84778549
4-ethoxy-2-ethylpyridine
CID 59520086
6-ethoxy-2-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 79518989
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
1-(3-ethoxyphenyl)piperazine
CID 14519634
4-[(4-methoxy-2-pyridinyl)methyl]-1,4-thiazepane
CID 75503314
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[(2-ethoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 83896731

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine (CID 83890072) is 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine is CCOc1ccnc(CN2CCNCC2)c1.
What is the InChIKey of 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine?
The InChIKey is UXHTVAFBZHPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-16-12-3-4-14-11(9-12)10-15-7-5-13-6-8-15/h3-4,9,13H,2,5-8,10H2,1H3.
What are the key properties of 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine?
1-[(4-ethoxy-2-pyridinyl)methyl]piperazine has a molecular weight of 221.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 83890072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).