1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide

C19H31N3O2 — CID 54848066

IUPAC1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide
SMILESCCCCCCOc1ccccc1CN1CCCC(C(=O)NN)C1
InChIInChI=1S/C19H31N3O2/c1-2-3-4-7-13-24-18-11-6-5-9-16(18)14-22-12-8-10-17(15-22)19(23)21-20/h5-6,9,11,17H,2-4,7-8,10,12-15,20H2,1H3,(H,21,23)
InChIKeyWJAMXWBIWDCKAB-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.85
Rot. Bonds9

About 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide

1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide (PubChem CID 54848066) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide
PubChem CID54848066
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide
SMILESCCCCCCOc1ccccc1CN1CCCC(C(=O)NN)C1
InChIInChI=1S/C19H31N3O2/c1-2-3-4-7-13-24-18-11-6-5-9-16(18)14-22-12-8-10-17(15-22)19(23)21-20/h5-6,9,11,17H,2-4,7-8,10,12-15,20H2,1H3,(H,21,23)
InChIKeyWJAMXWBIWDCKAB-UHFFFAOYSA-N
XLogP2.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848441
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide
CID 54848268
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
1-ethylpiperidine-3-carbohydrazide
CID 68651092

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide?
The IUPAC name of 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide (CID 54848066) is 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide.
What is the SMILES notation for 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide?
The canonical SMILES for 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide is CCCCCCOc1ccccc1CN1CCCC(C(=O)NN)C1.
What is the InChIKey of 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide?
The InChIKey is WJAMXWBIWDCKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-2-3-4-7-13-24-18-11-6-5-9-16(18)14-22-12-8-10-17(15-22)19(23)21-20/h5-6,9,11,17H,2-4,7-8,10,12-15,20H2,1H3,(H,21,23).
What are the key properties of 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide?
1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide has a molecular weight of 333.48 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 54848066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).