3-(3,3-difluoropiperidin-1-yl)propanehydrazide

C8H15F2N3O — CID 164657436

IUPAC3-(3,3-difluoropiperidin-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2N3O/c9-8(10)3-1-4-13(6-8)5-2-7(14)12-11/h1-6,11H2,(H,12,14)
InChIKeyIKOBTVLOPCDHIB-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.10
Rot. Bonds3

About 3-(3,3-difluoropiperidin-1-yl)propanehydrazide

3-(3,3-difluoropiperidin-1-yl)propanehydrazide (PubChem CID 164657436) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)propanehydrazide
PubChem CID164657436
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name3-(3,3-difluoropiperidin-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2N3O/c9-8(10)3-1-4-13(6-8)5-2-7(14)12-11/h1-6,11H2,(H,12,14)
InChIKeyIKOBTVLOPCDHIB-UHFFFAOYSA-N
XLogP0.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-3-piperidin-1-ylpropanohydrazide
CID 3734228
3-(Piperidin-1-yl)propanehydrazide
CID 776458
2,2,2-trifluoro-N-piperidin-1-ylacetamide
CID 17164430
3-(4,4-Difluoropiperidin-1-yl)propanamide
CID 44230492
3-(3,3-Difluoropiperidin-1-yl)propanamide
CID 44230638
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 63584266
2-Methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 65545405
3-[4-(Trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 65545604
3-[3-(Trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 65545833
2-Methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 65545895
2,2-Dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 79630886
2,2-Dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 79630887

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)propanehydrazide?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)propanehydrazide (CID 164657436) is 3-(3,3-difluoropiperidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)propanehydrazide is NNC(=O)CCN1CCCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)propanehydrazide?
The InChIKey is IKOBTVLOPCDHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c9-8(10)3-1-4-13(6-8)5-2-7(14)12-11/h1-6,11H2,(H,12,14).
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)propanehydrazide?
3-(3,3-difluoropiperidin-1-yl)propanehydrazide has a molecular weight of 207.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-1-yl)propanehydrazide is sourced from PubChem (CID 164657436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).