[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine

C14H22N4O2 — CID 107352957

IUPAC[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
SMILESCCC1CCN(Cc2cccc([N+](=O)[O-])c2NN)CC1
InChIInChI=1S/C14H22N4O2/c1-2-11-6-8-17(9-7-11)10-12-4-3-5-13(18(19)20)14(12)16-15/h3-5,11,16H,2,6-10,15H2,1H3
InChIKeyPHMYFICYUBDPCC-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.50
Rot. Bonds5

About [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine

[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine (PubChem CID 107352957) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
PubChem CID107352957
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
SMILESCCC1CCN(Cc2cccc([N+](=O)[O-])c2NN)CC1
InChIInChI=1S/C14H22N4O2/c1-2-11-6-8-17(9-7-11)10-12-4-3-5-13(18(19)20)14(12)16-15/h3-5,11,16H,2,6-10,15H2,1H3
InChIKeyPHMYFICYUBDPCC-UHFFFAOYSA-N
XLogP2.50
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-nitro-6-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 107353157
[2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045
2-[(3-ethylpyrrolidin-1-yl)methyl]-6-nitroaniline
CID 107351544
N-methyl-2-nitro-6-[(4-propan-2-ylpiperidin-1-yl)methyl]aniline
CID 107351669
[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
CID 107353090
N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline
CID 107351546
[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-nitrophenyl]hydrazine
CID 107459272
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 107353246
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]-6-nitroaniline
CID 107350938
4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one
CID 107352999
1-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908405
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine?
The IUPAC name of [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine (CID 107352957) is [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine is CCC1CCN(Cc2cccc([N+](=O)[O-])c2NN)CC1.
What is the InChIKey of [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine?
The InChIKey is PHMYFICYUBDPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-11-6-8-17(9-7-11)10-12-4-3-5-13(18(19)20)14(12)16-15/h3-5,11,16H,2,6-10,15H2,1H3.
What are the key properties of [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine?
[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine has a molecular weight of 278.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine is sourced from PubChem (CID 107352957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).