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

C17H19N3O2 — CID 133464338

IUPAC(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cccc(O)c3)CC2)ccn1
InChIInChI=1S/C17H19N3O2/c1-13-11-15(5-6-18-13)19-7-9-20(10-8-19)17(22)14-3-2-4-16(21)12-14/h2-6,11-12,21H,7-10H2,1H3
InChIKeyPAMNVPAOCHEHAX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.06
Rot. Bonds2

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

(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone (PubChem CID 133464338) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
PubChem CID133464338
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cccc(O)c3)CC2)ccn1
InChIInChI=1S/C17H19N3O2/c1-13-11-15(5-6-18-13)19-7-9-20(10-8-19)17(22)14-3-2-4-16(21)12-14/h2-6,11-12,21H,7-10H2,1H3
InChIKeyPAMNVPAOCHEHAX-UHFFFAOYSA-N
XLogP2.06
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone 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

(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide
CID 39776331
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
[4-(3-hydroxyphenyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 146122602
[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 138809548
[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 91775347
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone (CID 133464338) is (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3cccc(O)c3)CC2)ccn1.
What is the InChIKey of (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is PAMNVPAOCHEHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-11-15(5-6-18-13)19-7-9-20(10-8-19)17(22)14-3-2-4-16(21)12-14/h2-6,11-12,21H,7-10H2,1H3.
What are the key properties of (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone?
(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 133464338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).