1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine

C12H19N3O — CID 83890061

IUPAC1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine
SMILESCOc1cnccc1CCN1CCNCC1
InChIInChI=1S/C12H19N3O/c1-16-12-10-14-4-2-11(12)3-7-15-8-5-13-6-9-15/h2,4,10,13H,3,5-9H2,1H3
InChIKeyUGRMWKOWNUMVSO-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.54
Rot. Bonds4

About 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine

1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine (PubChem CID 83890061) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine
PubChem CID83890061
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine
SMILESCOc1cnccc1CCN1CCNCC1
InChIInChI=1S/C12H19N3O/c1-16-12-10-14-4-2-11(12)3-7-15-8-5-13-6-9-15/h2,4,10,13H,3,5-9H2,1H3
InChIKeyUGRMWKOWNUMVSO-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
CID 84712711
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline
CID 117413761
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
CID 117429080
4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 168729664
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine (CID 83890061) is 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine is COc1cnccc1CCN1CCNCC1.
What is the InChIKey of 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine?
The InChIKey is UGRMWKOWNUMVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-12-10-14-4-2-11(12)3-7-15-8-5-13-6-9-15/h2,4,10,13H,3,5-9H2,1H3.
What are the key properties of 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine?
1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine has a molecular weight of 221.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine is sourced from PubChem (CID 83890061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).