(1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate

C17H28N4O — CID 142337279

IUPAC(1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate
SMILESCC(CN)/C(=N\Nc1ccccc1)OCC1CCN(C)CC1
InChIInChI=1S/C17H28N4O/c1-14(12-18)17(20-19-16-6-4-3-5-7-16)22-13-15-8-10-21(2)11-9-15/h3-7,14-15,19H,8-13,18H2,1-2H3/b20-17+
InChIKeyKXCQRTOWTJOSPR-LVZFUZTISA-N
MW304.44 g/mol
LogP2.37
Rot. Bonds6

About (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate

(1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate (PubChem CID 142337279) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate
PubChem CID142337279
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate
SMILESCC(CN)/C(=N\Nc1ccccc1)OCC1CCN(C)CC1
InChIInChI=1S/C17H28N4O/c1-14(12-18)17(20-19-16-6-4-3-5-7-16)22-13-15-8-10-21(2)11-9-15/h3-7,14-15,19H,8-13,18H2,1-2H3/b20-17+
InChIKeyKXCQRTOWTJOSPR-LVZFUZTISA-N
XLogP2.37
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate
CID 138483088
1-(2,2-diphenylethyl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111357295
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
(1-methylpiperidin-4-yl)methyl 2,3,6-triiodobenzoate
CID 146365541
3-[(1-methylpiperidin-4-yl)methylamino]-3-phenylpropanenitrile
CID 55117440
2-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111856173
2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
(1-methylpiperidin-4-yl)methyl 2-[(4-methylthiophen-2-yl)methylamino]-2-phenylacetate
CID 138482937
2-[(4-methylphenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]-3-phenylguanidine;hydroiodide
CID 111086792
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
(1S)-N-[(1-methylpiperidin-4-yl)methyl]-2-methylsulfanyl-1-phenylethanamine
CID 99615093

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate (CID 142337279) is (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate is CC(CN)/C(=N\Nc1ccccc1)OCC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate?
The InChIKey is KXCQRTOWTJOSPR-LVZFUZTISA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(12-18)17(20-19-16-6-4-3-5-7-16)22-13-15-8-10-21(2)11-9-15/h3-7,14-15,19H,8-13,18H2,1-2H3/b20-17+.
What are the key properties of (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate?
(1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate has a molecular weight of 304.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate is sourced from PubChem (CID 142337279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).