1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde

C9H14F3NO — CID 64566161

IUPAC1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)3-5-13-4-1-2-8(6-13)7-14/h7-8H,1-6H2
InChIKeyNXCQNOXGZRRAGC-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.85
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde

1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde (PubChem CID 64566161) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde
PubChem CID64566161
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)3-5-13-4-1-2-8(6-13)7-14/h7-8H,1-6H2
InChIKeyNXCQNOXGZRRAGC-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.85
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-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158
1-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118903174
3-(2,2-Difluoropiperidin-1-yl)propanal
CID 129204965
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566
3-(4,4-Difluoropiperidin-1-yl)propanal
CID 140791088
2-[(4,4-Difluoropiperidin-1-yl)methyl]butanal
CID 143181514
(4S)-1-methyl-3-(trifluoromethyl)piperidine-4-carbaldehyde
CID 163219698

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde (CID 64566161) is 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde is O=CC1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde?
The InChIKey is NXCQNOXGZRRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)3-5-13-4-1-2-8(6-13)7-14/h7-8H,1-6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde?
1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde has a molecular weight of 209.21 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 64566161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).