1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride

C16H16Cl2F3N3O — CID 162517374

IUPAC1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1COc1nc(N2CCNCC2)c(F)cc1F
InChIInChI=1S/C16H15ClF3N3O.ClH/c17-11-2-1-10(12(18)7-11)9-24-16-14(20)8-13(19)15(22-16)23-5-3-21-4-6-23;/h1-2,7-8,21H,3-6,9H2;1H
InChIKeyQKZSTMVZJNJYKP-UHFFFAOYSA-N
MW394.22 g/mol
LogP3.56
Rot. Bonds4

About 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride

1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride (PubChem CID 162517374) has the molecular formula C16H16Cl2F3N3O and a molecular weight of 394.22 g/mol. Its IUPAC name is 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride
PubChem CID162517374
Molecular FormulaC16H16Cl2F3N3O
Molecular Weight394.22 g/mol
Exact Mass393.06
IUPAC Name1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1COc1nc(N2CCNCC2)c(F)cc1F
InChIInChI=1S/C16H15ClF3N3O.ClH/c17-11-2-1-10(12(18)7-11)9-24-16-14(20)8-13(19)15(22-16)23-5-3-21-4-6-23;/h1-2,7-8,21H,3-6,9H2;1H
InChIKeyQKZSTMVZJNJYKP-UHFFFAOYSA-N
XLogP3.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine
CID 175941451
3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 176551263
(4-chloro-2-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720606
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 175910489
(4-chloro-2-piperazin-1-ylphenyl)methanamine
CID 63082137
3-fluoro-4-[[4-(methoxymethyl)-6-piperazin-1-yl-2-pyridinyl]oxymethyl]benzonitrile
CID 167093673
2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline
CID 22036291
1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
CID 67327803
4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
CID 166609586
4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24716244

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride?
The IUPAC name of 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride (CID 162517374) is 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride?
The canonical SMILES for 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride is Cl.Fc1cc(Cl)ccc1COc1nc(N2CCNCC2)c(F)cc1F.
What is the InChIKey of 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride?
The InChIKey is QKZSTMVZJNJYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O.ClH/c17-11-2-1-10(12(18)7-11)9-24-16-14(20)8-13(19)15(22-16)23-5-3-21-4-6-23;/h1-2,7-8,21H,3-6,9H2;1H.
What are the key properties of 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride?
1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride has a molecular weight of 394.22 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride is sourced from PubChem (CID 162517374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).