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

C12H19N3O — CID 83890125

IUPAC1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine
SMILESCOc1ncccc1C(C)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-10(15-8-6-13-7-9-15)11-4-3-5-14-12(11)16-2/h3-5,10,13H,6-9H2,1-2H3
InChIKeyAVFVDDRAULGJCB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.06
Rot. Bonds3

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

1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine (PubChem CID 83890125) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine
PubChem CID83890125
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine
SMILESCOc1ncccc1C(C)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-10(15-8-6-13-7-9-15)11-4-3-5-14-12(11)16-2/h3-5,10,13H,6-9H2,1-2H3
InChIKeyAVFVDDRAULGJCB-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

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Related Compounds

1-[(1R)-1-(2-bromo-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171289099
1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171276366
5-(2-methoxy-3-pyridinyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343186
1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine
CID 83890116
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
4-(1-piperazin-1-ylethyl)quinoline
CID 3377936
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine?
The IUPAC name of 1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine (CID 83890125) is 1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine is COc1ncccc1C(C)N1CCNCC1.
What is the InChIKey of 1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine?
The InChIKey is AVFVDDRAULGJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(15-8-6-13-7-9-15)11-4-3-5-14-12(11)16-2/h3-5,10,13H,6-9H2,1-2H3.
What are the key properties of 1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine?
1-[1-(2-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-(2-methoxy-3-pyridinyl)ethyl]piperazine is sourced from PubChem (CID 83890125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).