1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide

C17H27N3O3 — CID 54848362

IUPAC1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide
SMILESCCOCCOc1ccc(CN2CCC(C(=O)NN)CC2)cc1
InChIInChI=1S/C17H27N3O3/c1-2-22-11-12-23-16-5-3-14(4-6-16)13-20-9-7-15(8-10-20)17(21)19-18/h3-6,15H,2,7-13,18H2,1H3,(H,19,21)
InChIKeyABELCXGMGFOHEV-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.30
Rot. Bonds8

About 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide

1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide (PubChem CID 54848362) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide
PubChem CID54848362
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide
SMILESCCOCCOc1ccc(CN2CCC(C(=O)NN)CC2)cc1
InChIInChI=1S/C17H27N3O3/c1-2-22-11-12-23-16-5-3-14(4-6-16)13-20-9-7-15(8-10-20)17(21)19-18/h3-6,15H,2,7-13,18H2,1H3,(H,19,21)
InChIKeyABELCXGMGFOHEV-UHFFFAOYSA-N
XLogP1.30
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
CID 43576087
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
CID 23724214
1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848162
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129455927
1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
CID 54794066
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide (CID 54848362) is 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide is CCOCCOc1ccc(CN2CCC(C(=O)NN)CC2)cc1.
What is the InChIKey of 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide?
The InChIKey is ABELCXGMGFOHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-2-22-11-12-23-16-5-3-14(4-6-16)13-20-9-7-15(8-10-20)17(21)19-18/h3-6,15H,2,7-13,18H2,1H3,(H,19,21).
What are the key properties of 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide?
1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide has a molecular weight of 321.42 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 54848362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).