1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol

C18H23N3O — CID 111462476

IUPAC1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(Cc2ccncc2)CC1)c1ccccc1
InChIInChI=1S/C18H23N3O/c22-18(17-4-2-1-3-5-17)15-21-12-10-20(11-13-21)14-16-6-8-19-9-7-16/h1-9,18,22H,10-15H2
InChIKeyVEBIIJIJDJWHHF-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.93
Rot. Bonds5

About 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol

1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 111462476) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
PubChem CID111462476
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(Cc2ccncc2)CC1)c1ccccc1
InChIInChI=1S/C18H23N3O/c22-18(17-4-2-1-3-5-17)15-21-12-10-20(11-13-21)14-16-6-8-19-9-7-16/h1-9,18,22H,10-15H2
InChIKeyVEBIIJIJDJWHHF-UHFFFAOYSA-N
XLogP1.93
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
(1S)-1-(3-chlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 92764459
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95334915
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
2-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 2877382
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599
(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
CID 95308586
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95322228
N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801327

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol (CID 111462476) is 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol is OC(CN1CCN(Cc2ccncc2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is VEBIIJIJDJWHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(17-4-2-1-3-5-17)15-21-12-10-20(11-13-21)14-16-6-8-19-9-7-16/h1-9,18,22H,10-15H2.
What are the key properties of 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol?
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 297.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 111462476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).