1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide

C17H27N3O2 — CID 54848162

IUPAC1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
SMILESCC(C)COc1cccc(CN2CCC(C(=O)NN)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-13(2)12-22-16-5-3-4-14(10-16)11-20-8-6-15(7-9-20)17(21)19-18/h3-5,10,13,15H,6-9,11-12,18H2,1-2H3,(H,19,21)
InChIKeyOWMXVCUZYMAEPF-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.92
Rot. Bonds6

About 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide

1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide (PubChem CID 54848162) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
PubChem CID54848162
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
SMILESCC(C)COc1cccc(CN2CCC(C(=O)NN)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-13(2)12-22-16-5-3-4-14(10-16)11-20-8-6-15(7-9-20)17(21)19-18/h3-5,10,13,15H,6-9,11-12,18H2,1-2H3,(H,19,21)
InChIKeyOWMXVCUZYMAEPF-UHFFFAOYSA-N
XLogP1.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3S)-N'-hydroxy-1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidine-3-carboximidamide
CID 125491998
N'-hydroxy-1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidine-3-carboximidamide
CID 123192059
methyl 1-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperidine-4-carboxylate
CID 45205503
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076504
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923335
[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl] methanesulfonate
CID 118342664
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide
CID 54848264
1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848441
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide (CID 54848162) is 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide is CC(C)COc1cccc(CN2CCC(C(=O)NN)CC2)c1.
What is the InChIKey of 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide?
The InChIKey is OWMXVCUZYMAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)12-22-16-5-3-4-14(10-16)11-20-8-6-15(7-9-20)17(21)19-18/h3-5,10,13,15H,6-9,11-12,18H2,1-2H3,(H,19,21).
What are the key properties of 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide?
1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide has a molecular weight of 305.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 54848162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).