[2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine

C14H22N4O3 — CID 107395035

IUPAC[2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
SMILESCOC1(C)CCCN(Cc2cccc([N+](=O)[O-])c2NN)C1
InChIInChI=1S/C14H22N4O3/c1-14(21-2)7-4-8-17(10-14)9-11-5-3-6-12(18(19)20)13(11)16-15/h3,5-6,16H,4,7-10,15H2,1-2H3
InChIKeyMJJDQPSGUGYIJW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.88
Rot. Bonds5

About [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine

[2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine (PubChem CID 107395035) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
PubChem CID107395035
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name[2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
SMILESCOC1(C)CCCN(Cc2cccc([N+](=O)[O-])c2NN)C1
InChIInChI=1S/C14H22N4O3/c1-14(21-2)7-4-8-17(10-14)9-11-5-3-6-12(18(19)20)13(11)16-15/h3,5-6,16H,4,7-10,15H2,1-2H3
InChIKeyMJJDQPSGUGYIJW-UHFFFAOYSA-N
XLogP1.88
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045
[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-nitrophenyl]hydrazine
CID 107459272
[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107352957
[2-nitro-6-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 107353157
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-N-ethyl-6-nitroaniline
CID 107351459
4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one
CID 107352999
1-[(2-fluoro-3-nitrophenyl)methyl]-3-methylpiperidin-3-ol
CID 107348421
[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
CID 107353090
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 107353187
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 107395848
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 107353246
6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 107395824

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine?
The IUPAC name of [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine (CID 107395035) is [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine is COC1(C)CCCN(Cc2cccc([N+](=O)[O-])c2NN)C1.
What is the InChIKey of [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine?
The InChIKey is MJJDQPSGUGYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(21-2)7-4-8-17(10-14)9-11-5-3-6-12(18(19)20)13(11)16-15/h3,5-6,16H,4,7-10,15H2,1-2H3.
What are the key properties of [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine?
[2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine has a molecular weight of 294.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine is sourced from PubChem (CID 107395035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).