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

C12H19N3O — CID 83890116

IUPAC1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine
SMILESCOc1ccncc1C(C)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-10(15-7-5-13-6-8-15)11-9-14-4-3-12(11)16-2/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyPESCDYDQIGYHTJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.06
Rot. Bonds3

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

1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine (PubChem CID 83890116) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine
PubChem CID83890116
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine
SMILESCOc1ccncc1C(C)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-10(15-7-5-13-6-8-15)11-9-14-4-3-12(11)16-2/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyPESCDYDQIGYHTJ-UHFFFAOYSA-N
XLogP1.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine
CID 83890125
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
CID 3724554
1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171296885
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine?
The IUPAC name of 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine (CID 83890116) is 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine is COc1ccncc1C(C)N1CCNCC1.
What is the InChIKey of 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine?
The InChIKey is PESCDYDQIGYHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(15-7-5-13-6-8-15)11-9-14-4-3-12(11)16-2/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine?
1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine has a molecular weight of 221.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine is sourced from PubChem (CID 83890116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).