2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol

C13H21N3O — CID 112550205

IUPAC2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
SMILESCc1cccnc1CN1CCN(CCO)CC1
InChIInChI=1S/C13H21N3O/c1-12-3-2-4-14-13(12)11-16-7-5-15(6-8-16)9-10-17/h2-4,17H,5-11H2,1H3
InChIKeyBOMVDJBTOWFGKT-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.50
Rot. Bonds4

About 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol

2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol (PubChem CID 112550205) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
PubChem CID112550205
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
SMILESCc1cccnc1CN1CCN(CCO)CC1
InChIInChI=1S/C13H21N3O/c1-12-3-2-4-14-13(12)11-16-7-5-15(6-8-16)9-10-17/h2-4,17H,5-11H2,1H3
InChIKeyBOMVDJBTOWFGKT-UHFFFAOYSA-N
XLogP0.50
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine
CID 115981865
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
CID 146038387
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 165433162
[4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 107160723
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112550214
N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide
CID 115981994
2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
CID 130684002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol (CID 112550205) is 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol is Cc1cccnc1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is BOMVDJBTOWFGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12-3-2-4-14-13(12)11-16-7-5-15(6-8-16)9-10-17/h2-4,17H,5-11H2,1H3.
What are the key properties of 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 112550205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).