1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol

C15H23N3O3 — CID 81097349

IUPAC1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol
SMILESCCNc1ccc(CN2CCC(C)(O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-16-13-5-4-12(10-14(13)18(20)21)11-17-8-6-15(2,19)7-9-17/h4-5,10,16,19H,3,6-9,11H2,1-2H3
InChIKeyABXMGVMYYQRJQG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.37
Rot. Bonds5

About 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol

1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol (PubChem CID 81097349) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol
PubChem CID81097349
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol
SMILESCCNc1ccc(CN2CCC(C)(O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-16-13-5-4-12(10-14(13)18(20)21)11-17-8-6-15(2,19)7-9-17/h4-5,10,16,19H,3,6-9,11H2,1-2H3
InChIKeyABXMGVMYYQRJQG-UHFFFAOYSA-N
XLogP2.37
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103358292
4-(azocan-1-ylmethyl)-N-ethyl-2-nitroaniline
CID 62183054
1-[[4-(ethylamino)-3-nitrophenyl]methyl]pyrrolidin-3-ol
CID 62941360
N-ethyl-4-[(3-methylpyrrolidin-1-yl)methyl]-2-nitroaniline
CID 55046125
[4-(ethylamino)-3-nitrophenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358178
4-methyl-1-[(3-nitrophenyl)methyl]piperidin-4-ol
CID 80702376
2-nitro-N-propyl-4-(thiomorpholin-4-ylmethyl)aniline
CID 62177701
1-[[4-(ethylamino)-3-nitrophenyl]methyl]azepan-2-one
CID 62208003
1-[4-(morpholin-4-ylmethyl)-2-nitroanilino]propan-2-one
CID 20616566
[1-[[4-(ethylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208428
1-[(4-chloro-3-nitrophenyl)methyl]-4-ethyl-4-methylpiperidine
CID 63480223
N-ethyl-4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-nitroaniline
CID 83219748

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol (CID 81097349) is 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol is CCNc1ccc(CN2CCC(C)(O)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol?
The InChIKey is ABXMGVMYYQRJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-16-13-5-4-12(10-14(13)18(20)21)11-17-8-6-15(2,19)7-9-17/h4-5,10,16,19H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol?
1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol has a molecular weight of 293.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).