1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine

C12H18FN3 — CID 126759788

IUPAC1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccncc2F)CC1
InChIInChI=1S/C12H18FN3/c1-2-15-5-7-16(8-6-15)10-11-3-4-14-9-12(11)13/h3-4,9H,2,5-8,10H2,1H3
InChIKeyKYFQAOVLSUMCRC-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.36
Rot. Bonds3

About 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine

1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine (PubChem CID 126759788) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
PubChem CID126759788
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccncc2F)CC1
InChIInChI=1S/C12H18FN3/c1-2-15-5-7-16(8-6-15)10-11-3-4-14-9-12(11)13/h3-4,9H,2,5-8,10H2,1H3
InChIKeyKYFQAOVLSUMCRC-UHFFFAOYSA-N
XLogP1.36
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(3-fluoro-4-pyridinyl)methyl]imidazolidin-4-one
CID 126790271
O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine
CID 143961834
magnesium;1-ethyl-4-[(2-fluorobenzene-4-id-1-yl)methyl]piperazine;bromide
CID 91657736
(3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one
CID 129348532
1-[(2,4-difluorophenyl)methyl]-4-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 171334559
6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-7-methylpurine
CID 163352063
(3S)-8-[(3-fluoro-4-pyridinyl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97394777
4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 163350112
4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 163350223
1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine
CID 145147205
2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 163357036
4-[(4-ethylpiperazin-1-yl)methyl]-3-fluorobenzoic acid
CID 63067186

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine (CID 126759788) is 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine is CCN1CCN(Cc2ccncc2F)CC1.
What is the InChIKey of 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine?
The InChIKey is KYFQAOVLSUMCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-2-15-5-7-16(8-6-15)10-11-3-4-14-9-12(11)13/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine?
1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine has a molecular weight of 223.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 126759788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).