1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine

C19H23ClFN3 — CID 155528865

IUPAC1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine
SMILESFc1ccc(CCCCN2CCN(c3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C19H23ClFN3/c20-17-6-9-19(22-15-17)24-13-11-23(12-14-24)10-2-1-3-16-4-7-18(21)8-5-16/h4-9,15H,1-3,10-14H2
InChIKeyHHVQGHMBHYXHGF-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.02
Rot. Bonds6

About 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine

1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine (PubChem CID 155528865) has the molecular formula C19H23ClFN3 and a molecular weight of 347.87 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine
PubChem CID155528865
Molecular FormulaC19H23ClFN3
Molecular Weight347.87 g/mol
Exact Mass347.16
IUPAC Name1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine
SMILESFc1ccc(CCCCN2CCN(c3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C19H23ClFN3/c20-17-6-9-19(22-15-17)24-13-11-23(12-14-24)10-2-1-3-16-4-7-18(21)8-5-16/h4-9,15H,1-3,10-14H2
InChIKeyHHVQGHMBHYXHGF-UHFFFAOYSA-N
XLogP4.02
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
Chloropyramine
CID 25295
Chloropyramine Hydrochloride
CID 80311
N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(4-(dimethylamino)-2,6-difluorophenyl)ethyl)-
CID 3001133
1-(5-Chloropyridin-2-yl)-3-[2-(2,4,6-trifluorophenyl)ethyl]thiourea
CID 5327628
Arylsulfonylpiperazine, 25
CID 44237028

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine (CID 155528865) is 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine is Fc1ccc(CCCCN2CCN(c3ccc(Cl)cn3)CC2)cc1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine?
The InChIKey is HHVQGHMBHYXHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3/c20-17-6-9-19(22-15-17)24-13-11-23(12-14-24)10-2-1-3-16-4-7-18(21)8-5-16/h4-9,15H,1-3,10-14H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine?
1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine has a molecular weight of 347.87 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine is sourced from PubChem (CID 155528865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).