(2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C13H18N4O4 — CID 102971070

IUPAC(2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NN)CC1O
InChIInChI=1S/C13H18N4O4/c1-8-4-5-16(7-12(8)18)13(19)10-6-9(17(20)21)2-3-11(10)15-14/h2-3,6,8,12,15,18H,4-5,7,14H2,1H3
InChIKeyNDCDPWIMQHVRRE-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.72
Rot. Bonds3

About (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102971070) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102971070
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NN)CC1O
InChIInChI=1S/C13H18N4O4/c1-8-4-5-16(7-12(8)18)13(19)10-6-9(17(20)21)2-3-11(10)15-14/h2-3,6,8,12,15,18H,4-5,7,14H2,1H3
InChIKeyNDCDPWIMQHVRRE-UHFFFAOYSA-N
XLogP0.72
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
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-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62247895
(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236217
4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64694171
(4-chloro-3-methylpiperidin-1-yl)-(2-methyl-5-nitrophenyl)methanone
CID 114683137
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-5-nitrophenyl)methanone
CID 114960224
(5-chloro-2-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900209
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methoxy-4-nitrophenyl)methanone
CID 114680210
(2-chloro-4-nitrophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62642294
[(3S)-3-aminopyrrolidin-1-yl]-(2-bromo-5-nitrophenyl)methanone
CID 113282398
(3-aminopyrrolidin-1-yl)-(2-methyl-4-nitrophenyl)methanone
CID 62067347
(E)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 103900422
[3-(methylamino)piperidin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 62534652

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102971070) is (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NN)CC1O.
What is the InChIKey of (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is NDCDPWIMQHVRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8-4-5-16(7-12(8)18)13(19)10-6-9(17(20)21)2-3-11(10)15-14/h2-3,6,8,12,15,18H,4-5,7,14H2,1H3.
What are the key properties of (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 294.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102971070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).