4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde

C11H18F2N2O — CID 175528078

IUPAC4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)3-1-10(2-4-11)15-7-5-14(9-16)6-8-15/h9-10H,1-8H2
InChIKeyQDTLWOYJYKYLMS-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.34
Rot. Bonds2

About 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde

4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde (PubChem CID 175528078) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde
PubChem CID175528078
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)3-1-10(2-4-11)15-7-5-14(9-16)6-8-15/h9-10H,1-8H2
InChIKeyQDTLWOYJYKYLMS-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde (CID 175528078) is 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde is O=CN1CCN(C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde?
The InChIKey is QDTLWOYJYKYLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-11(13)3-1-10(2-4-11)15-7-5-14(9-16)6-8-15/h9-10H,1-8H2.
What are the key properties of 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde?
4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde has a molecular weight of 232.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 175528078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).