(3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone

C14H20N4O3 — CID 115937192

IUPAC(3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone
SMILESCC1(C)CCCN(C(=O)c2cccc([N+](=O)[O-])c2NN)C1
InChIInChI=1S/C14H20N4O3/c1-14(2)7-4-8-17(9-14)13(19)10-5-3-6-11(18(20)21)12(10)16-15/h3,5-6,16H,4,7-9,15H2,1-2H3
InChIKeyMAKIZEDZSCTIEZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.14
Rot. Bonds3

About (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone

(3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone (PubChem CID 115937192) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone
PubChem CID115937192
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone
SMILESCC1(C)CCCN(C(=O)c2cccc([N+](=O)[O-])c2NN)C1
InChIInChI=1S/C14H20N4O3/c1-14(2)7-4-8-17(9-14)13(19)10-5-3-6-11(18(20)21)12(10)16-15/h3,5-6,16H,4,7-9,15H2,1-2H3
InChIKeyMAKIZEDZSCTIEZ-UHFFFAOYSA-N
XLogP2.14
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.14
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-hydrazinyl-3-nitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 115936951
(2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 115937034
(3,3-dimethylpiperidin-1-yl)-(5-hydroxy-2-nitrophenyl)methanone
CID 102741873
azepan-1-yl-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936404
(3,3-dimethylpyrrolidin-1-yl)-(3-hydrazinyl-2-nitrophenyl)methanone
CID 115549690
2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
CID 115937216
4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile
CID 115937240
[2-(methylamino)-3-nitrophenyl]-(4-methylazepan-1-yl)methanone
CID 115936769
(3-chloro-4-nitrophenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 82780227
(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936545
(2-amino-3-nitrophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115696688
(2-amino-3-nitrophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 115936768

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone?
The IUPAC name of (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone (CID 115937192) is (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone?
The canonical SMILES for (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone is CC1(C)CCCN(C(=O)c2cccc([N+](=O)[O-])c2NN)C1.
What is the InChIKey of (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone?
The InChIKey is MAKIZEDZSCTIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(2)7-4-8-17(9-14)13(19)10-5-3-6-11(18(20)21)12(10)16-15/h3,5-6,16H,4,7-9,15H2,1-2H3.
What are the key properties of (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone?
(3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone has a molecular weight of 292.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone is sourced from PubChem (CID 115937192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).