3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide

C16H25N3O — CID 63573249

IUPAC3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide
SMILESCC(CN1CCC(Cc2ccccc2)CC1)C(=O)NN
InChIInChI=1S/C16H25N3O/c1-13(16(20)18-17)12-19-9-7-15(8-10-19)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3,(H,18,20)
InChIKeyBEENCQIBTDZYQO-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.57
Rot. Bonds5

About 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide

3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide (PubChem CID 63573249) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide
PubChem CID63573249
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide
SMILESCC(CN1CCC(Cc2ccccc2)CC1)C(=O)NN
InChIInChI=1S/C16H25N3O/c1-13(16(20)18-17)12-19-9-7-15(8-10-19)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3,(H,18,20)
InChIKeyBEENCQIBTDZYQO-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
2-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 83052069
5-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 18621443
benzyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106484236
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
2-(4-benzylpiperidin-1-yl)-N-(1-cyclopropylethyl)acetamide
CID 78719824
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
4-benzyl-1-[2-(bromomethyl)-3-methylbutyl]piperidine
CID 65011955

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide (CID 63573249) is 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide is CC(CN1CCC(Cc2ccccc2)CC1)C(=O)NN.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide?
The InChIKey is BEENCQIBTDZYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(16(20)18-17)12-19-9-7-15(8-10-19)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3,(H,18,20).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide?
3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide has a molecular weight of 275.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide is sourced from PubChem (CID 63573249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).