[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone

C17H17Cl2N3O2 — CID 75470049

IUPAC[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3O2/c1-11-8-13(23)2-3-14(11)17(24)22-6-4-21(5-7-22)16-15(19)9-12(18)10-20-16/h2-3,8-10,23H,4-7H2,1H3
InChIKeyMSKHMEPHPSEUER-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.36
Rot. Bonds2

About [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 75470049) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
PubChem CID75470049
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3O2/c1-11-8-13(23)2-3-14(11)17(24)22-6-4-21(5-7-22)16-15(19)9-12(18)10-20-16/h2-3,8-10,23H,4-7H2,1H3
InChIKeyMSKHMEPHPSEUER-UHFFFAOYSA-N
XLogP3.36
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol
CID 4822698
N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55933429
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 71252515
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 119844372
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112845805
(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119844341
6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
CID 143982857
4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 10200562

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (CID 75470049) is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is MSKHMEPHPSEUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-11-8-13(23)2-3-14(11)17(24)22-6-4-21(5-7-22)16-15(19)9-12(18)10-20-16/h2-3,8-10,23H,4-7H2,1H3.
What are the key properties of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 366.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 75470049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).