hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate

C9H16F3N3O2 — CID 66337320

IUPAChydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
SMILESNNOC(=O)CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7-2-1-4-15(6-7)5-3-8(16)17-14-13/h7,14H,1-6,13H2
InChIKeyWLQYZUUIJLTLEK-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.57
Rot. Bonds4

About hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate

hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate (PubChem CID 66337320) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
PubChem CID66337320
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Namehydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
SMILESNNOC(=O)CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7-2-1-4-15(6-7)5-3-8(16)17-14-13/h7,14H,1-6,13H2
InChIKeyWLQYZUUIJLTLEK-UHFFFAOYSA-N
XLogP0.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl 3-(3-ethylpiperidin-1-yl)propanoate
CID 66339133
hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate
CID 66339331
(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 153197476
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate
CID 66337111
hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66371826
hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate
CID 66339308
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17484917
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 118374749
N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite
CID 144600535

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate?
The IUPAC name of hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate (CID 66337320) is hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate.
What is the SMILES notation for hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate?
The canonical SMILES for hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate is NNOC(=O)CCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate?
The InChIKey is WLQYZUUIJLTLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c10-9(11,12)7-2-1-4-15(6-7)5-3-8(16)17-14-13/h7,14H,1-6,13H2.
What are the key properties of hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate?
hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate has a molecular weight of 255.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 66337320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).