4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine

C14H27F2N3O — CID 145233611

IUPAC4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.O=CN1CCC(F)(F)CC1
InChIInChI=1S/C8H18N2.C6H9F2NO/c1-8(2)10-6-4-9(3)5-7-10;7-6(8)1-3-9(5-10)4-2-6/h8H,4-7H2,1-3H3;5H,1-4H2
InChIKeyCRGUVTOMQUJGRA-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.52
Rot. Bonds2

About 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine

4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine (PubChem CID 145233611) has the molecular formula C14H27F2N3O and a molecular weight of 291.39 g/mol. Its IUPAC name is 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
PubChem CID145233611
Molecular FormulaC14H27F2N3O
Molecular Weight291.39 g/mol
Exact Mass291.21
IUPAC Name4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.O=CN1CCC(F)(F)CC1
InChIInChI=1S/C8H18N2.C6H9F2NO/c1-8(2)10-6-4-9(3)5-7-10;7-6(8)1-3-9(5-10)4-2-6/h8H,4-7H2,1-3H3;5H,1-4H2
InChIKeyCRGUVTOMQUJGRA-UHFFFAOYSA-N
XLogP1.52
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Piperazinecarboxaldehyde,4-(1-ethyl-4-piperidinyl)-(9CI)
CID 2846675
(4,4-Difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124200332
(3,3-Difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752735
3,3-Difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 145233597
(4-Butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone
CID 166828303
(2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde
CID 175527940
4-(2,2-Difluoroethyl)-2-methylpiperazine-1-carbaldehyde
CID 175527942
4-(4,4-Difluorocyclohexyl)piperazine-1-carbaldehyde
CID 175528078
4-(4-Butylpiperazin-1-yl)-3,3-difluoropiperidine-1-carbaldehyde;ethane
CID 176558302
N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide
CID 144814248
3-Methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbaldehyde
CID 153682207
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide
CID 154671521

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine (CID 145233611) is 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine is CC(C)N1CCN(C)CC1.O=CN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine?
The InChIKey is CRGUVTOMQUJGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C6H9F2NO/c1-8(2)10-6-4-9(3)5-7-10;7-6(8)1-3-9(5-10)4-2-6/h8H,4-7H2,1-3H3;5H,1-4H2.
What are the key properties of 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine?
4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 291.39 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 145233611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).