1-(2,2-difluoropropyl)piperidine-4-carbaldehyde

C9H15F2NO — CID 84663158

IUPAC1-(2,2-difluoropropyl)piperidine-4-carbaldehyde
SMILESCC(F)(F)CN1CCC(C=O)CC1
InChIInChI=1S/C9H15F2NO/c1-9(10,11)7-12-4-2-8(6-13)3-5-12/h6,8H,2-5,7H2,1H3
InChIKeyCNWRZELAKLEVNV-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.55
Rot. Bonds3

About 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde

1-(2,2-difluoropropyl)piperidine-4-carbaldehyde (PubChem CID 84663158) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)piperidine-4-carbaldehyde
PubChem CID84663158
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name1-(2,2-difluoropropyl)piperidine-4-carbaldehyde
SMILESCC(F)(F)CN1CCC(C=O)CC1
InChIInChI=1S/C9H15F2NO/c1-9(10,11)7-12-4-2-8(6-13)3-5-12/h6,8H,2-5,7H2,1H3
InChIKeyCNWRZELAKLEVNV-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.55
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-Methylpiperidine-4-carbaldehyde
CID 12535228
(1-Methylpiperidin-4-yl)acetaldehyde
CID 21666286
1-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-(Trifluoroacetyl)piperidine-4-carbaldehyde
CID 45081042
1-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
1-(Pentan-3-yl)piperidine-4-carbaldehyde
CID 80098853
1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethan-1-one hydrochloride
CID 112756476
2,2,2-Trifluoro-1-(1-methylpiperidin-4-yl)ethan-1-one
CID 57674782
1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde (CID 84663158) is 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde is CC(F)(F)CN1CCC(C=O)CC1.
What is the InChIKey of 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde?
The InChIKey is CNWRZELAKLEVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-9(10,11)7-12-4-2-8(6-13)3-5-12/h6,8H,2-5,7H2,1H3.
What are the key properties of 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde?
1-(2,2-difluoropropyl)piperidine-4-carbaldehyde has a molecular weight of 191.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 84663158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).