1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde

C10H16F3NO — CID 115518191

IUPAC1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-1-5-14-6-2-9(8-15)3-7-14/h8-9H,1-7H2
InChIKeyGZVVQEWOHQWVOP-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.24
Rot. Bonds4

About 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde

1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde (PubChem CID 115518191) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde
PubChem CID115518191
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-1-5-14-6-2-9(8-15)3-7-14/h8-9H,1-7H2
InChIKeyGZVVQEWOHQWVOP-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.24
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-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
CID 83058258
1-decylpiperidine-4-carbaldehyde
CID 62654458
1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 84657695
1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde
CID 63196126
N-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115512946
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
CID 115514231
1-(2-ethoxyethyl)piperidine-4-carbaldehyde
CID 62654830
ethyl 1-(4,4,4-trifluorobutyl)piperidine-4-carboxylate
CID 115518003
1-(6,6,6-trifluorohexyl)piperidine
CID 71259183
4-methyl-1-(4,4,4-trifluorobutyl)-1,5-diazocane
CID 115521962
2-(4-formylpiperidin-1-yl)ethyl formate
CID 174570080
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde (CID 115518191) is 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde is O=CC1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde?
The InChIKey is GZVVQEWOHQWVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)4-1-5-14-6-2-9(8-15)3-7-14/h8-9H,1-7H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde?
1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde has a molecular weight of 223.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 115518191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).