1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane

C19H27ClFN3 — CID 145146069

IUPAC1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
SMILESCC.CC.Fc1ccc(-c2cc(N3CCNCC3)cc(Cl)n2)cc1
InChIInChI=1S/C15H15ClFN3.2C2H6/c16-15-10-13(20-7-5-18-6-8-20)9-14(19-15)11-1-3-12(17)4-2-11;2*1-2/h1-4,9-10,18H,5-8H2;2*1-2H3
InChIKeyJIHHKVVVJYULFL-UHFFFAOYSA-N
MW351.90 g/mol
LogP5.00
Rot. Bonds2

About 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane

1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane (PubChem CID 145146069) has the molecular formula C19H27ClFN3 and a molecular weight of 351.90 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane.

Molecular Properties

Compound Name1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
PubChem CID145146069
Molecular FormulaC19H27ClFN3
Molecular Weight351.90 g/mol
Exact Mass351.19
IUPAC Name1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
SMILESCC.CC.Fc1ccc(-c2cc(N3CCNCC3)cc(Cl)n2)cc1
InChIInChI=1S/C15H15ClFN3.2C2H6/c16-15-10-13(20-7-5-18-6-8-20)9-14(19-15)11-1-3-12(17)4-2-11;2*1-2/h1-4,9-10,18H,5-8H2;2*1-2H3
InChIKeyJIHHKVVVJYULFL-UHFFFAOYSA-N
XLogP5.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-iodo-4-pyridinyl)piperazine
CID 86054641
6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile
CID 66806435
4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 95430396
2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine
CID 59588234
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82487680
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol
CID 56943334
2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 141105926
6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine
CID 19379437
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane
CID 144796390
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
[6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone
CID 147614300

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane?
The IUPAC name of 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane (CID 145146069) is 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane.
What is the SMILES notation for 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane?
The canonical SMILES for 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane is CC.CC.Fc1ccc(-c2cc(N3CCNCC3)cc(Cl)n2)cc1.
What is the InChIKey of 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane?
The InChIKey is JIHHKVVVJYULFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3.2C2H6/c16-15-10-13(20-7-5-18-6-8-20)9-14(19-15)11-1-3-12(17)4-2-11;2*1-2/h1-4,9-10,18H,5-8H2;2*1-2H3.
What are the key properties of 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane?
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane has a molecular weight of 351.90 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane is sourced from PubChem (CID 145146069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).