2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide

C12H21F2N3O — CID 67073701

IUPAC2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide
SMILESNC(=O)C(C1CCC(F)(F)CC1)N1CCNCC1
InChIInChI=1S/C12H21F2N3O/c13-12(14)3-1-9(2-4-12)10(11(15)18)17-7-5-16-6-8-17/h9-10,16H,1-8H2,(H2,15,18)
InChIKeySYIOECITTDQQKL-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.57
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide

2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide (PubChem CID 67073701) has the molecular formula C12H21F2N3O and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide
PubChem CID67073701
Molecular FormulaC12H21F2N3O
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide
SMILESNC(=O)C(C1CCC(F)(F)CC1)N1CCNCC1
InChIInChI=1S/C12H21F2N3O/c13-12(14)3-1-9(2-4-12)10(11(15)18)17-7-5-16-6-8-17/h9-10,16H,1-8H2,(H2,15,18)
InChIKeySYIOECITTDQQKL-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide (CID 67073701) is 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide is NC(=O)C(C1CCC(F)(F)CC1)N1CCNCC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide?
The InChIKey is SYIOECITTDQQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O/c13-12(14)3-1-9(2-4-12)10(11(15)18)17-7-5-16-6-8-17/h9-10,16H,1-8H2,(H2,15,18).
What are the key properties of 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide?
2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide has a molecular weight of 261.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 67073701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).