4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde

C10H17F3N2O — CID 175527970

IUPAC4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde
SMILESCC(C)(C(F)F)C(F)N1CCN(C=O)CC1
InChIInChI=1S/C10H17F3N2O/c1-10(2,8(11)12)9(13)15-5-3-14(7-16)4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyPTSCNMAMUBLXIL-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.35
Rot. Bonds4

About 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde

4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde (PubChem CID 175527970) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde
PubChem CID175527970
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde
SMILESCC(C)(C(F)F)C(F)N1CCN(C=O)CC1
InChIInChI=1S/C10H17F3N2O/c1-10(2,8(11)12)9(13)15-5-3-14(7-16)4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyPTSCNMAMUBLXIL-UHFFFAOYSA-N
XLogP1.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde (CID 175527970) is 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde is CC(C)(C(F)F)C(F)N1CCN(C=O)CC1.
What is the InChIKey of 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde?
The InChIKey is PTSCNMAMUBLXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-10(2,8(11)12)9(13)15-5-3-14(7-16)4-6-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde?
4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde has a molecular weight of 238.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 175527970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).