2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine

C15H30FN3 — CID 138744632

IUPAC2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine
SMILESCCC1CN(CC2CN(C)CCC2(C)F)CCN1C
InChIInChI=1S/C15H30FN3/c1-5-14-12-19(9-8-18(14)4)11-13-10-17(3)7-6-15(13,2)16/h13-14H,5-12H2,1-4H3
InChIKeyNIMXECBRTYXQDL-UHFFFAOYSA-N
MW271.42 g/mol
LogP1.69
Rot. Bonds3

About 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine

2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine (PubChem CID 138744632) has the molecular formula C15H30FN3 and a molecular weight of 271.42 g/mol. Its IUPAC name is 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine
PubChem CID138744632
Molecular FormulaC15H30FN3
Molecular Weight271.42 g/mol
Exact Mass271.24
IUPAC Name2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine
SMILESCCC1CN(CC2CN(C)CCC2(C)F)CCN1C
InChIInChI=1S/C15H30FN3/c1-5-14-12-19(9-8-18(14)4)11-13-10-17(3)7-6-15(13,2)16/h13-14H,5-12H2,1-4H3
InChIKeyNIMXECBRTYXQDL-UHFFFAOYSA-N
XLogP1.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine?
The IUPAC name of 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine (CID 138744632) is 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine.
What is the SMILES notation for 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine?
The canonical SMILES for 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine is CCC1CN(CC2CN(C)CCC2(C)F)CCN1C.
What is the InChIKey of 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine?
The InChIKey is NIMXECBRTYXQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FN3/c1-5-14-12-19(9-8-18(14)4)11-13-10-17(3)7-6-15(13,2)16/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine?
2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine has a molecular weight of 271.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine is sourced from PubChem (CID 138744632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).