1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid

C19H21N3O2 — CID 169383937

IUPAC1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C=NNc3ccccc3)cc2)CC1
InChIInChI=1S/C19H21N3O2/c23-19(24)16-10-12-22(13-11-16)18-8-6-15(7-9-18)14-20-21-17-4-2-1-3-5-17/h1-9,14,16,21H,10-13H2,(H,23,24)
InChIKeyMGSWKJCPNLQPDA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.43
Rot. Bonds5

About 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid

1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid (PubChem CID 169383937) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
PubChem CID169383937
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C=NNc3ccccc3)cc2)CC1
InChIInChI=1S/C19H21N3O2/c23-19(24)16-10-12-22(13-11-16)18-8-6-15(7-9-18)14-20-21-17-4-2-1-3-5-17/h1-9,14,16,21H,10-13H2,(H,23,24)
InChIKeyMGSWKJCPNLQPDA-UHFFFAOYSA-N
XLogP3.43
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline
CID 171352963
1-[4-(2,2-dicyanoethenylamino)phenyl]piperidine-4-carboxylic acid
CID 168544756
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 45327412
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
CID 7955344
N-[[4-(4-methylpiperidin-1-yl)phenyl]methylideneamino]-3-nitroaniline
CID 110842335
(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
CID 169383570
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid (CID 169383937) is 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(C=NNc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid?
The InChIKey is MGSWKJCPNLQPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(24)16-10-12-22(13-11-16)18-8-6-15(7-9-18)14-20-21-17-4-2-1-3-5-17/h1-9,14,16,21H,10-13H2,(H,23,24).
What are the key properties of 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid?
1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 169383937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).