2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol

C18H23N3O — CID 20980348

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol
SMILESCc1ccccc1N1CCN(CC(O)c2ccccn2)CC1
InChIInChI=1S/C18H23N3O/c1-15-6-2-3-8-17(15)21-12-10-20(11-13-21)14-18(22)16-7-4-5-9-19-16/h2-9,18,22H,10-14H2,1H3
InChIKeyFMDSZWFILBOVRH-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol

2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol (PubChem CID 20980348) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol
PubChem CID20980348
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol
SMILESCc1ccccc1N1CCN(CC(O)c2ccccn2)CC1
InChIInChI=1S/C18H23N3O/c1-15-6-2-3-8-17(15)21-12-10-20(11-13-21)14-18(22)16-7-4-5-9-19-16/h2-9,18,22H,10-14H2,1H3
InChIKeyFMDSZWFILBOVRH-UHFFFAOYSA-N
XLogP2.25
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 82216623
2-(4-methylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82040271
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate
CID 82045302
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol
CID 15016113
1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
CID 21149439
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
CID 56986560
(1R)-1-[2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103960079
1-(2-aminophenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
CID 3049135

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol (CID 20980348) is 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol is Cc1ccccc1N1CCN(CC(O)c2ccccn2)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol?
The InChIKey is FMDSZWFILBOVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15-6-2-3-8-17(15)21-12-10-20(11-13-21)14-18(22)16-7-4-5-9-19-16/h2-9,18,22H,10-14H2,1H3.
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol?
2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol has a molecular weight of 297.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol is sourced from PubChem (CID 20980348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).