1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde

C10H16F3NO — CID 115518188

IUPAC1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-2-6-14-5-1-3-9(7-14)8-15/h8-9H,1-7H2
InChIKeyYKZJAFNBANLNBI-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.24
Rot. Bonds4

About 1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde

1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde (PubChem CID 115518188) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde
PubChem CID115518188
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-2-6-14-5-1-3-9(7-14)8-15/h8-9H,1-7H2
InChIKeyYKZJAFNBANLNBI-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-Ethylpiperidine-3-Carbaldehyde Hydrochloride
CID 53398879
1-(Difluoromethyl)piperidine-3-carbaldehyde
CID 62654021
1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566
2-[(4,4-Difluoropiperidin-1-yl)methyl]butanal
CID 143181514
2-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanal
CID 146588104
5,5-Difluoropiperidine-3-carbaldehyde;ethane;methanamine
CID 153331044
2-Methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanal
CID 167467540
2-Methyl-2-[1-(1,2,2-trifluoroethyl)piperidin-4-yl]propanal
CID 175567717
2-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pentanal
CID 55141552
2-Fluoro-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 55266596

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde (CID 115518188) is 1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde is O=CC1CCCN(CCCC(F)(F)F)C1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde?
The InChIKey is YKZJAFNBANLNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)4-2-6-14-5-1-3-9(7-14)8-15/h8-9H,1-7H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)piperidine-3-carbaldehyde?
1-(4,4,4-trifluorobutyl)piperidine-3-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-3-carbaldehyde is sourced from PubChem (CID 115518188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).