2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine

C13H24F2N2 — CID 176943362

IUPAC2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine
SMILESC/C=C\C1CC(C)CNC1C(NC)C(C)(F)F
InChIInChI=1S/C13H24F2N2/c1-5-6-10-7-9(2)8-17-11(10)12(16-4)13(3,14)15/h5-6,9-12,16-17H,7-8H2,1-4H3/b6-5-
InChIKeyVZSNQZWORKWJIH-WAYWQWQTSA-N
MW246.34 g/mol
LogP2.42
Rot. Bonds4

About 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine

2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine (PubChem CID 176943362) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine
PubChem CID176943362
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine
SMILESC/C=C\C1CC(C)CNC1C(NC)C(C)(F)F
InChIInChI=1S/C13H24F2N2/c1-5-6-10-7-9(2)8-17-11(10)12(16-4)13(3,14)15/h5-6,9-12,16-17H,7-8H2,1-4H3/b6-5-
InChIKeyVZSNQZWORKWJIH-WAYWQWQTSA-N
XLogP2.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
1-[1-[(5R)-2,5-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]heptyl]piperazine
CID 68330524
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine
CID 71019352
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 123207174
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline
CID 123554630
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
1,1,1-Trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
CID 123932115
1-[2-[3-(Trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine
CID 129042810

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine?
The IUPAC name of 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine (CID 176943362) is 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine?
The canonical SMILES for 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine is C/C=C\C1CC(C)CNC1C(NC)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine?
The InChIKey is VZSNQZWORKWJIH-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-5-6-10-7-9(2)8-17-11(10)12(16-4)13(3,14)15/h5-6,9-12,16-17H,7-8H2,1-4H3/b6-5-.
What are the key properties of 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine?
2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine has a molecular weight of 246.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine is sourced from PubChem (CID 176943362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).