1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine

C13H23F2N3 — CID 170581770

IUPAC1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C13H23F2N3/c1-3-5-17-7-9-18(10-8-17)12-4-6-16(2)11-13(12,14)15/h3,12H,1,4-11H2,2H3
InChIKeySOPHMGBNYFAVCS-UHFFFAOYSA-N
MW259.34 g/mol
LogP1.13
Rot. Bonds3

About 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine

1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine (PubChem CID 170581770) has the molecular formula C13H23F2N3 and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine
PubChem CID170581770
Molecular FormulaC13H23F2N3
Molecular Weight259.34 g/mol
Exact Mass259.19
IUPAC Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C13H23F2N3/c1-3-5-17-7-9-18(10-8-17)12-4-6-16(2)11-13(12,14)15/h3,12H,1,4-11H2,2H3
InChIKeySOPHMGBNYFAVCS-UHFFFAOYSA-N
XLogP1.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-Methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 70974052
N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine
CID 139302721
2-(Difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine
CID 166698660
1-(3,3-Difluoro-1-propan-2-ylpiperidin-4-yl)-4-propan-2-ylpiperazine
CID 168139474
1-[(4S)-3,3-difluoro-1-propan-2-ylpiperidin-4-yl]-4-propan-2-ylpiperazine
CID 168139538
1-[(4R)-3,3-difluoro-1-propan-2-ylpiperidin-4-yl]-4-propan-2-ylpiperazine
CID 168139630
1-(2,2-Difluoroethyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 168838635
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine
CID 169862592
1-(1-Ethyl-3,3-difluoropiperidin-4-yl)-4-propan-2-ylpiperazine
CID 170386531
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine
CID 170386691
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-4-ethylpiperazine
CID 170386962
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-4-prop-1-en-2-ylpiperazine
CID 170387124

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine?
The IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine (CID 170581770) is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine?
The canonical SMILES for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine is C=CCN1CCN(C2CCN(C)CC2(F)F)CC1.
What is the InChIKey of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine?
The InChIKey is SOPHMGBNYFAVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3/c1-3-5-17-7-9-18(10-8-17)12-4-6-16(2)11-13(12,14)15/h3,12H,1,4-11H2,2H3.
What are the key properties of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine?
1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-prop-2-enylpiperazine has a molecular weight of 259.34 g/mol, XLogP of 1.13, 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)-4-prop-2-enylpiperazine is sourced from PubChem (CID 170581770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).