4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol

C15H15Cl2N3O — CID 4822698

IUPAC4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C15H15Cl2N3O/c16-11-9-14(17)15(18-10-11)20-7-5-19(6-8-20)12-1-3-13(21)4-2-12/h1-4,9-10,21H,5-8H2
InChIKeyBDJJHZKLUCPAIB-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.42
Rot. Bonds2

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

4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol (PubChem CID 4822698) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol
PubChem CID4822698
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C15H15Cl2N3O/c16-11-9-14(17)15(18-10-11)20-7-5-19(6-8-20)12-1-3-13(21)4-2-12/h1-4,9-10,21H,5-8H2
InChIKeyBDJJHZKLUCPAIB-UHFFFAOYSA-N
XLogP3.42
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 75470049
1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 114836681
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol
CID 70873410
1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
CID 128509432
(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636
6-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 60870790
(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119844341
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 133297534
1-(3,5-dichloro-2-pyridinyl)-4-(3-methylsulfonyl-4-nitrophenyl)piperazine
CID 133400573

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol (CID 4822698) is 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol?
The InChIKey is BDJJHZKLUCPAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c16-11-9-14(17)15(18-10-11)20-7-5-19(6-8-20)12-1-3-13(21)4-2-12/h1-4,9-10,21H,5-8H2.
What are the key properties of 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol?
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol has a molecular weight of 324.21 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol is sourced from PubChem (CID 4822698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).