3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde

C14H24F2N2O — CID 177134533

IUPAC3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde
SMILESCC(C)C1CCN(C2CCN(C=O)CC2(F)F)CC1
InChIInChI=1S/C14H24F2N2O/c1-11(2)12-3-7-18(8-4-12)13-5-6-17(10-19)9-14(13,15)16/h10-13H,3-9H2,1-2H3
InChIKeyBEGVLVSVMBHFDB-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.22
Rot. Bonds3

About 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde

3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde (PubChem CID 177134533) has the molecular formula C14H24F2N2O and a molecular weight of 274.35 g/mol. Its IUPAC name is 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde
PubChem CID177134533
Molecular FormulaC14H24F2N2O
Molecular Weight274.35 g/mol
Exact Mass274.19
IUPAC Name3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde
SMILESCC(C)C1CCN(C2CCN(C=O)CC2(F)F)CC1
InChIInChI=1S/C14H24F2N2O/c1-11(2)12-3-7-18(8-4-12)13-5-6-17(10-19)9-14(13,15)16/h10-13H,3-9H2,1-2H3
InChIKeyBEGVLVSVMBHFDB-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
1-[4-[3-(Trifluoromethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 122269555
4-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]piperidine-1-carbaldehyde
CID 175527946
1-[3,3-Difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 176559830
3,3-Difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde;ethane;1-methylpyrrolidine
CID 177134532
4-[1-(2-Fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde
CID 177254207
2-Methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287074
1-(2,2-Difluoroethyl)-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 166115350
1-(Cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 168983753
4-(4-Butylpiperazin-1-yl)-3,3-difluoropiperidine-1-carbaldehyde
CID 176558303
4-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde
CID 176558507

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde?
The IUPAC name of 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde (CID 177134533) is 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde is CC(C)C1CCN(C2CCN(C=O)CC2(F)F)CC1.
What is the InChIKey of 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde?
The InChIKey is BEGVLVSVMBHFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-11(2)12-3-7-18(8-4-12)13-5-6-17(10-19)9-14(13,15)16/h10-13H,3-9H2,1-2H3.
What are the key properties of 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde?
3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde has a molecular weight of 274.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 177134533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).