1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine

C18H22FN3O2 — CID 165435291

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
SMILESCOc1ccc(OC)c(CN2CCN(c3ncccc3F)CC2)c1
InChIInChI=1S/C18H22FN3O2/c1-23-15-5-6-17(24-2)14(12-15)13-21-8-10-22(11-9-21)18-16(19)4-3-7-20-18/h3-7,12H,8-11,13H2,1-2H3
InChIKeyKPLOBYRVLCSEQH-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.56
Rot. Bonds5

About 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine

1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine (PubChem CID 165435291) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
PubChem CID165435291
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
SMILESCOc1ccc(OC)c(CN2CCN(c3ncccc3F)CC2)c1
InChIInChI=1S/C18H22FN3O2/c1-23-15-5-6-17(24-2)14(12-15)13-21-8-10-22(11-9-21)18-16(19)4-3-7-20-18/h3-7,12H,8-11,13H2,1-2H3
InChIKeyKPLOBYRVLCSEQH-UHFFFAOYSA-N
XLogP2.56
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423608
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 18095536
1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine
CID 7357181
2-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031993
5-methoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 3816451
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4,7-dimethoxy-1,3-benzothiazole
CID 90601970
4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 155976177
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 75470973
2-[4-[(2-methoxy-5-nitrophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031848
1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 764461
1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 17385208

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine (CID 165435291) is 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine is COc1ccc(OC)c(CN2CCN(c3ncccc3F)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The InChIKey is KPLOBYRVLCSEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-23-15-5-6-17(24-2)14(12-15)13-21-8-10-22(11-9-21)18-16(19)4-3-7-20-18/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine has a molecular weight of 331.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 165435291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).