[4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine

C17H19F3N4 — CID 66788168

IUPAC[4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1nccc(N2CCC(c3ccccc3)CC2)c1C(F)(F)F
InChIInChI=1S/C17H19F3N4/c18-17(19,20)15-14(6-9-22-16(15)23-21)24-10-7-13(8-11-24)12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11,21H2,(H,22,23)
InChIKeyLSZUZRSWLCDPSQ-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.77
Rot. Bonds3

About [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine

[4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 66788168) has the molecular formula C17H19F3N4 and a molecular weight of 336.36 g/mol. Its IUPAC name is [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID66788168
Molecular FormulaC17H19F3N4
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC Name[4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1nccc(N2CCC(c3ccccc3)CC2)c1C(F)(F)F
InChIInChI=1S/C17H19F3N4/c18-17(19,20)15-14(6-9-22-16(15)23-21)24-10-7-13(8-11-24)12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11,21H2,(H,22,23)
InChIKeyLSZUZRSWLCDPSQ-UHFFFAOYSA-N
XLogP3.77
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 66788168) is [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1nccc(N2CCC(c3ccccc3)CC2)c1C(F)(F)F.
What is the InChIKey of [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is LSZUZRSWLCDPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4/c18-17(19,20)15-14(6-9-22-16(15)23-21)24-10-7-13(8-11-24)12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11,21H2,(H,22,23).
What are the key properties of [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
[4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 336.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 66788168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).