[2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone

C16H23ClN4O — CID 144938251

IUPAC[2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(N/N=C\CN)c(C(=O)N2CCCCC2CCl)c1
InChIInChI=1S/C16H23ClN4O/c1-12-5-6-15(20-19-8-7-18)14(10-12)16(22)21-9-3-2-4-13(21)11-17/h5-6,8,10,13,20H,2-4,7,9,11,18H2,1H3/b19-8-
InChIKeyGHEQEJRDFCYWQI-UWVJOHFNSA-N
MW322.84 g/mol
LogP2.58
Rot. Bonds5

About [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone

[2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone (PubChem CID 144938251) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone
PubChem CID144938251
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name[2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(N/N=C\CN)c(C(=O)N2CCCCC2CCl)c1
InChIInChI=1S/C16H23ClN4O/c1-12-5-6-15(20-19-8-7-18)14(10-12)16(22)21-9-3-2-4-13(21)11-17/h5-6,8,10,13,20H,2-4,7,9,11,18H2,1H3/b19-8-
InChIKeyGHEQEJRDFCYWQI-UWVJOHFNSA-N
XLogP2.58
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(chloromethyl)azepan-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116639025
(2-bromo-5-methylphenyl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone
CID 81116731
[2-(hydroxymethyl)azepan-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 116637955
[2-(2-chloroethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 55188177
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
[2-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186852
[2-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112057
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone;hydrochloride
CID 119467434
[2-(hydroxymethyl)azepan-1-yl]-[4-methyl-2-(methylamino)phenyl]methanone
CID 116637899
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
[2-(chloromethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830458

Frequently Asked Questions

What is the IUPAC name of [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone (CID 144938251) is [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone is Cc1ccc(N/N=C\CN)c(C(=O)N2CCCCC2CCl)c1.
What is the InChIKey of [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone?
The InChIKey is GHEQEJRDFCYWQI-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-12-5-6-15(20-19-8-7-18)14(10-12)16(22)21-9-3-2-4-13(21)11-17/h5-6,8,10,13,20H,2-4,7,9,11,18H2,1H3/b19-8-.
What are the key properties of [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone?
[2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone has a molecular weight of 322.84 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2Z)-2-(2-aminoethylidene)hydrazinyl]-5-methylphenyl]-[2-(chloromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 144938251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).