(1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one

C14H19N3O — CID 17388019

IUPAC(1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)/C(=N/Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C14H19N3O/c1-12(18)14(17-10-6-3-7-11-17)16-15-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-11H2,1H3/b16-14-
InChIKeyNALFAXXTLNZJAC-PEZBUJJGSA-N
MW245.33 g/mol
LogP2.49
Rot. Bonds3

About (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one

(1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one (PubChem CID 17388019) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name(1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one
PubChem CID17388019
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)/C(=N/Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C14H19N3O/c1-12(18)14(17-10-6-3-7-11-17)16-15-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-11H2,1H3/b16-14-
InChIKeyNALFAXXTLNZJAC-PEZBUJJGSA-N
XLogP2.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 5337438
3-Imino-2-(phenyl-hydrazono)-3-piperidin-1-yl-propionitrile
CID 6401656
1-[(3-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642821
1-[(2-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642853
1-(4-Morpholinyl)-1-(phenylhydrazono)acetone
CID 5344337
(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
CID 5410497
Cambridge id 5928581
CID 5727875
1-[(2-Methylphenyl)hydrazinylidene]-1-(4-morpholinyl)-2-propanone
CID 1237106
N'-(3-chloroanilino)-N,N-diethyl-2-oxopropanimidamide
CID 5877965
(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
CID 6504941
1-Morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
CID 830610
N-methyl-alpha-oxocaprolactam phenylhydrazone
CID 129870915

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one?
The IUPAC name of (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one (CID 17388019) is (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one?
The canonical SMILES for (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one is CC(=O)/C(=N/Nc1ccccc1)N1CCCCC1.
What is the InChIKey of (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one?
The InChIKey is NALFAXXTLNZJAC-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(18)14(17-10-6-3-7-11-17)16-15-13-8-4-2-5-9-13/h2,4-5,8-9,15H,3,6-7,10-11H2,1H3/b16-14-.
What are the key properties of (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one?
(1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(phenylhydrazinylidene)-1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 17388019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).