2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine

C14H28FN3 — CID 129288871

IUPAC2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine
SMILESCCN1CCC(F)C(CC2CN(C)CCN2C)C1
InChIInChI=1S/C14H28FN3/c1-4-18-6-5-14(15)12(10-18)9-13-11-16(2)7-8-17(13)3/h12-14H,4-11H2,1-3H3
InChIKeyRYJCYQZKZCKCRG-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.30
Rot. Bonds3

About 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine

2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine (PubChem CID 129288871) has the molecular formula C14H28FN3 and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine
PubChem CID129288871
Molecular FormulaC14H28FN3
Molecular Weight257.40 g/mol
Exact Mass257.23
IUPAC Name2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine
SMILESCCN1CCC(F)C(CC2CN(C)CCN2C)C1
InChIInChI=1S/C14H28FN3/c1-4-18-6-5-14(15)12(10-18)9-13-11-16(2)7-8-17(13)3/h12-14H,4-11H2,1-3H3
InChIKeyRYJCYQZKZCKCRG-UHFFFAOYSA-N
XLogP1.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine?
The IUPAC name of 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine (CID 129288871) is 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine.
What is the SMILES notation for 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine?
The canonical SMILES for 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine is CCN1CCC(F)C(CC2CN(C)CCN2C)C1.
What is the InChIKey of 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine?
The InChIKey is RYJCYQZKZCKCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN3/c1-4-18-6-5-14(15)12(10-18)9-13-11-16(2)7-8-17(13)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine?
2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine has a molecular weight of 257.40 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine is sourced from PubChem (CID 129288871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).