1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane

C15H31F2N3 — CID 170629245

IUPAC1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane
SMILESCC.CCN1CCN(CC2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C13H25F2N3.C2H6/c1-3-17-6-8-18(9-7-17)10-12-4-5-16(2)11-13(12,14)15;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyJJDNFFIDOMLXFP-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.24
Rot. Bonds3

About 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane

1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane (PubChem CID 170629245) has the molecular formula C15H31F2N3 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane.

Molecular Properties

Compound Name1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane
PubChem CID170629245
Molecular FormulaC15H31F2N3
Molecular Weight291.43 g/mol
Exact Mass291.25
IUPAC Name1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane
SMILESCC.CCN1CCN(CC2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C13H25F2N3.C2H6/c1-3-17-6-8-18(9-7-17)10-12-4-5-16(2)11-13(12,14)15;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyJJDNFFIDOMLXFP-UHFFFAOYSA-N
XLogP2.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane
CID 154671243
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
2-[(3,3-difluoro-1-methylpiperidin-4-yl)methylsulfanyl]acetic acid
CID 142350707
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1-ethyl-4-(1-methylpiperidin-4-yl)piperidine
CID 70910959
3,3-difluoro-1-methyl-N-propylpiperidin-4-amine
CID 178010503
1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 171641415

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane?
The IUPAC name of 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane (CID 170629245) is 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane.
What is the SMILES notation for 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane?
The canonical SMILES for 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane is CC.CCN1CCN(CC2CCN(C)CC2(F)F)CC1.
What is the InChIKey of 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane?
The InChIKey is JJDNFFIDOMLXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2N3.C2H6/c1-3-17-6-8-18(9-7-17)10-12-4-5-16(2)11-13(12,14)15;1-2/h12H,3-11H2,1-2H3;1-2H3.
What are the key properties of 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane?
1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane has a molecular weight of 291.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane is sourced from PubChem (CID 170629245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).