(Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine

C19H25FN4 — CID 9194563

IUPAC(Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/C=N\N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C19H25FN4/c1-13-6-5-7-14(2)23(13)21-12-19-15(3)22-24(16(19)4)18-10-8-17(20)9-11-18/h8-14H,5-7H2,1-4H3/b21-12+/t13-,14+
InChIKeyAZWOKKJGAZEZGE-VTPGLJCVSA-N
MW328.44 g/mol
LogP4.23
Rot. Bonds3

About (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine

(Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine (PubChem CID 9194563) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine.

Molecular Properties

Compound Name(Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
PubChem CID9194563
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name(Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/C=N\N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C19H25FN4/c1-13-6-5-7-14(2)23(13)21-12-19-15(3)22-24(16(19)4)18-10-8-17(20)9-11-18/h8-14H,5-7H2,1-4H3/b21-12+/t13-,14+
InChIKeyAZWOKKJGAZEZGE-VTPGLJCVSA-N
XLogP4.23
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine?
The IUPAC name of (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine (CID 9194563) is (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine.
What is the SMILES notation for (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine?
The canonical SMILES for (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine is Cc1nn(-c2ccc(F)cc2)c(C)c1/C=N\N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine?
The InChIKey is AZWOKKJGAZEZGE-VTPGLJCVSA-N. The full InChI is InChI=1S/C19H25FN4/c1-13-6-5-7-14(2)23(13)21-12-19-15(3)22-24(16(19)4)18-10-8-17(20)9-11-18/h8-14H,5-7H2,1-4H3/b21-12+/t13-,14+.
What are the key properties of (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine?
(Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine has a molecular weight of 328.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine is sourced from PubChem (CID 9194563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).