[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone

C19H23N3O2 — CID 110884353

IUPAC[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(CC(O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c23-18(14-16-4-2-1-3-5-16)15-21-10-12-22(13-11-21)19(24)17-6-8-20-9-7-17/h1-9,18,23H,10-15H2
InChIKeyHTIAUYKCEKEBDZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.44
Rot. Bonds5

About [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110884353) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID110884353
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(CC(O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c23-18(14-16-4-2-1-3-5-16)15-21-10-12-22(13-11-21)19(24)17-6-8-20-9-7-17/h1-9,18,23H,10-15H2
InChIKeyHTIAUYKCEKEBDZ-UHFFFAOYSA-N
XLogP1.44
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone 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

[4-(2-methyl-3-phenylpropyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86800221
(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 92573641
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 95613674
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
benzyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110798888
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
CID 2930774
[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 3144428

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 110884353) is [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(CC(O)Cc2ccccc2)CC1.
What is the InChIKey of [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is HTIAUYKCEKEBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(14-16-4-2-1-3-5-16)15-21-10-12-22(13-11-21)19(24)17-6-8-20-9-7-17/h1-9,18,23H,10-15H2.
What are the key properties of [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 325.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110884353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).