1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine

C18H18FN3 — CID 142827398

IUPAC1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine
SMILESFc1cccnc1N1CCN(CC#Cc2ccccc2)CC1
InChIInChI=1S/C18H18FN3/c19-17-9-4-10-20-18(17)22-14-12-21(13-15-22)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2
InChIKeyVQBQDJBQRRQQCF-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.39
Rot. Bonds2

About 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine

1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine (PubChem CID 142827398) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine
PubChem CID142827398
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine
SMILESFc1cccnc1N1CCN(CC#Cc2ccccc2)CC1
InChIInChI=1S/C18H18FN3/c19-17-9-4-10-20-18(17)22-14-12-21(13-15-22)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2
InChIKeyVQBQDJBQRRQQCF-UHFFFAOYSA-N
XLogP2.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
8-[4-(3-phenylprop-2-ynyl)piperazin-1-yl]-3,4-dihydropyrano[3,4-c]pyridin-1-one
CID 143061285
1,3-bis(3-phenylprop-2-ynyl)imidazolidine
CID 133188423
(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
CID 97281064
1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
CID 22285131
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905
2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline
CID 62733433
3-phenyl-5-[4-(3-phenylprop-2-ynyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 68528255
methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
CID 71922971
2-[4-[3-(3-phenylphenyl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole
CID 68530712
1-benzhydryl-4-(3-phenylprop-2-ynyl)piperazine;hydrochloride
CID 126480014
1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine
CID 136513547

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine (CID 142827398) is 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine is Fc1cccnc1N1CCN(CC#Cc2ccccc2)CC1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine?
The InChIKey is VQBQDJBQRRQQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c19-17-9-4-10-20-18(17)22-14-12-21(13-15-22)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine?
1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine has a molecular weight of 295.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine is sourced from PubChem (CID 142827398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).