1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine

C18H29FN4O — CID 50976058

IUPAC1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine
SMILESCOCCN1CCC(CN2CCN(c3ncccc3F)CC2)CC1
InChIInChI=1S/C18H29FN4O/c1-24-14-13-21-7-4-16(5-8-21)15-22-9-11-23(12-10-22)18-17(19)3-2-6-20-18/h2-3,6,16H,4-5,7-15H2,1H3
InChIKeyMMOBMEGXZIVVSR-UHFFFAOYSA-N
MW336.45 g/mol
LogP1.70
Rot. Bonds6

About 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine

1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine (PubChem CID 50976058) has the molecular formula C18H29FN4O and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine
PubChem CID50976058
Molecular FormulaC18H29FN4O
Molecular Weight336.45 g/mol
Exact Mass336.23
IUPAC Name1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine
SMILESCOCCN1CCC(CN2CCN(c3ncccc3F)CC2)CC1
InChIInChI=1S/C18H29FN4O/c1-24-14-13-21-7-4-16(5-8-21)15-22-9-11-23(12-10-22)18-17(19)3-2-6-20-18/h2-3,6,16H,4-5,7-15H2,1H3
InChIKeyMMOBMEGXZIVVSR-UHFFFAOYSA-N
XLogP1.70
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529
1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 124741868
3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97128849
methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
CID 71922971
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine
CID 136513547
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2-methoxyethyl)-1,4-diazepane
CID 103299683
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
N-(3-ethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-3-amine
CID 67921579
1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 75470973

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine (CID 50976058) is 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine is COCCN1CCC(CN2CCN(c3ncccc3F)CC2)CC1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is MMOBMEGXZIVVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O/c1-24-14-13-21-7-4-16(5-8-21)15-22-9-11-23(12-10-22)18-17(19)3-2-6-20-18/h2-3,6,16H,4-5,7-15H2,1H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine?
1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 336.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 50976058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).