2-(4-benzylpiperidin-1-yl)pentanehydrazide

C17H27N3O — CID 83052069

IUPAC2-(4-benzylpiperidin-1-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-6-16(17(21)19-18)20-11-9-15(10-12-20)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3,(H,19,21)
InChIKeyDPUUKWCFSZLBIZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.10
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)pentanehydrazide

2-(4-benzylpiperidin-1-yl)pentanehydrazide (PubChem CID 83052069) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)pentanehydrazide
PubChem CID83052069
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-benzylpiperidin-1-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-6-16(17(21)19-18)20-11-9-15(10-12-20)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3,(H,19,21)
InChIKeyDPUUKWCFSZLBIZ-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.10
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'}

Analyze 2-(4-benzylpiperidin-1-yl)pentanehydrazide 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-(4-benzylpiperazin-1-yl)pentanehydrazide
CID 83052064
3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide
CID 63573249
2-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 112629345
ethyl 2-(4-benzylpiperidin-1-yl)-4-(1,3-dioxoisoindol-2-yl)butanoate
CID 10670476
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol
CID 114356541
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
(2S)-2-[2-(4-benzylpiperidin-1-yl)propanoylamino]hexanoic acid
CID 120614792

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)pentanehydrazide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)pentanehydrazide (CID 83052069) is 2-(4-benzylpiperidin-1-yl)pentanehydrazide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)pentanehydrazide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)pentanehydrazide is CCCC(C(=O)NN)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)pentanehydrazide?
The InChIKey is DPUUKWCFSZLBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-6-16(17(21)19-18)20-11-9-15(10-12-20)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3,(H,19,21).
What are the key properties of 2-(4-benzylpiperidin-1-yl)pentanehydrazide?
2-(4-benzylpiperidin-1-yl)pentanehydrazide has a molecular weight of 289.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)pentanehydrazide is sourced from PubChem (CID 83052069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).