1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine

C13H23F2N — CID 134531079

IUPAC1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine
SMILESC=C(C)C(C)(F)C(F)N1CC(C)CC(C)C1
InChIInChI=1S/C13H23F2N/c1-9(2)13(5,15)12(14)16-7-10(3)6-11(4)8-16/h10-12H,1,6-8H2,2-5H3
InChIKeyHQFAPMQROKBCAM-UHFFFAOYSA-N
MW231.33 g/mol
LogP3.56
Rot. Bonds3

About 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine

1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine (PubChem CID 134531079) has the molecular formula C13H23F2N and a molecular weight of 231.33 g/mol. Its IUPAC name is 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine
PubChem CID134531079
Molecular FormulaC13H23F2N
Molecular Weight231.33 g/mol
Exact Mass231.18
IUPAC Name1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine
SMILESC=C(C)C(C)(F)C(F)N1CC(C)CC(C)C1
InChIInChI=1S/C13H23F2N/c1-9(2)13(5,15)12(14)16-7-10(3)6-11(4)8-16/h10-12H,1,6-8H2,2-5H3
InChIKeyHQFAPMQROKBCAM-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-4-methylidenepiperidine
CID 23423756
1-Methyl-4-methylidenepiperidine;1,1,1-trifluoroethane
CID 54257027
4-Methylidene-1-(2,2,2-trifluoroethyl)piperidine
CID 58902685
1-(2,2-Difluoroethyl)-4-methylidenepiperidine
CID 58902726
1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-Ethyl-4-(1-fluoroethenyl)piperidine
CID 91012854
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118178
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]piperidine
CID 124118182
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)piperidine
CID 124118195
3,5-Bis(trifluoromethyl)-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 124118197
1-(2-Fluoroethyl)-4-methylidenepiperidine
CID 126989918
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine?
The IUPAC name of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine (CID 134531079) is 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine?
The canonical SMILES for 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine is C=C(C)C(C)(F)C(F)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine?
The InChIKey is HQFAPMQROKBCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N/c1-9(2)13(5,15)12(14)16-7-10(3)6-11(4)8-16/h10-12H,1,6-8H2,2-5H3.
What are the key properties of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine?
1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine has a molecular weight of 231.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 134531079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).