(4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C16H25N3O — CID 114596631

IUPAC(4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2C)ccc1NN
InChIInChI=1S/C16H25N3O/c1-10-7-11(2)13(4)19(9-10)16(20)14-5-6-15(18-17)12(3)8-14/h5-6,8,10-11,13,18H,7,9,17H2,1-4H3
InChIKeyAQKVYZIYNATHGZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.79
Rot. Bonds2

About (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114596631) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114596631
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2C)ccc1NN
InChIInChI=1S/C16H25N3O/c1-10-7-11(2)13(4)19(9-10)16(20)14-5-6-15(18-17)12(3)8-14/h5-6,8,10-11,13,18H,7,9,17H2,1-4H3
InChIKeyAQKVYZIYNATHGZ-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
(4-fluoro-3-sulfanylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107036405
(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593400
4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66076244
[4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596549
(2-cyclopentylpyrrolidin-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211657
(3-hydroxy-4-nitrophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103280777
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
[3-(3-aminoprop-1-ynyl)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594692
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593572
(4-hydrazinyl-3-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79166049

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114596631) is (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CC(C)CC(C)C2C)ccc1NN.
What is the InChIKey of (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is AQKVYZIYNATHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10-7-11(2)13(4)19(9-10)16(20)14-5-6-15(18-17)12(3)8-14/h5-6,8,10-11,13,18H,7,9,17H2,1-4H3.
What are the key properties of (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114596631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).