[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride

C16H17ClFN3O — CID 110756069

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H16FN3O.ClH/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16(21)13-4-3-7-18-12-13;/h1-7,12H,8-11H2;1H
InChIKeyQOCHRKBEKBPPQO-UHFFFAOYSA-N
MW321.78 g/mol
LogP2.60
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride

[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride (PubChem CID 110756069) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
PubChem CID110756069
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H16FN3O.ClH/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16(21)13-4-3-7-18-12-13;/h1-7,12H,8-11H2;1H
InChIKeyQOCHRKBEKBPPQO-UHFFFAOYSA-N
XLogP2.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 143096143
[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 113097654
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106695
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 45370048
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
N-[2-(dimethylamino)ethyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109104067
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride (CID 110756069) is [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride is Cl.O=C(c1cccnc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride?
The InChIKey is QOCHRKBEKBPPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O.ClH/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16(21)13-4-3-7-18-12-13;/h1-7,12H,8-11H2;1H.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride?
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride has a molecular weight of 321.78 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 110756069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).