[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone

C17H18FN3O — CID 31113719

IUPAC[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17(22)16-7-3-4-8-19-16/h1-8H,9-13H2
InChIKeyFGJHKYRNOCAAPQ-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.18
Rot. Bonds3

About [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 31113719) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID31113719
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17(22)16-7-3-4-8-19-16/h1-8H,9-13H2
InChIKeyFGJHKYRNOCAAPQ-UHFFFAOYSA-N
XLogP2.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
(7-fluoroisoquinolin-3-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 167888543
[2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479126
pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 142654869
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19581278
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9467029
(2,6-dimethoxyphenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 1112852
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[1-[(4-methoxyphenoxy)methyl]pyrazol-3-yl]methanone
CID 19473045
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone
CID 19473069

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone (CID 31113719) is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is FGJHKYRNOCAAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17(22)16-7-3-4-8-19-16/h1-8H,9-13H2.
What are the key properties of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone?
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 299.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 31113719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).