2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol

C15H23N3O3 — CID 62184446

IUPAC2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol
SMILESCNc1ccc(CN2CCCCC2CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-16-14-6-5-12(10-15(14)18(20)21)11-17-8-3-2-4-13(17)7-9-19/h5-6,10,13,16,19H,2-4,7-9,11H2,1H3
InChIKeyXQTYSINXXUZUPQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.37
Rot. Bonds6

About 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol

2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol (PubChem CID 62184446) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol
PubChem CID62184446
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol
SMILESCNc1ccc(CN2CCCCC2CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-16-14-6-5-12(10-15(14)18(20)21)11-17-8-3-2-4-13(17)7-9-19/h5-6,10,13,16,19H,2-4,7-9,11H2,1H3
InChIKeyXQTYSINXXUZUPQ-UHFFFAOYSA-N
XLogP2.37
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208427
2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 62246313
[1-[[4-(ethylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208428
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 83045221
[1-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methanol
CID 61406447
3-[1-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62466930
[1-[(4-chloro-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116634418
4-[(2-ethylpyrrolidin-1-yl)methyl]-2-nitro-N-propylaniline
CID 62177327
[1-[(4-methoxy-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637425
[1-[(3-fluoro-4-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116634428
1-[[4-(methylamino)-3-nitrophenyl]methyl]pyrrolidine-3-carboxamide
CID 103881493
[1-[(4-amino-3-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62207713

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol (CID 62184446) is 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol is CNc1ccc(CN2CCCCC2CCO)cc1[N+](=O)[O-].
What is the InChIKey of 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol?
The InChIKey is XQTYSINXXUZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-16-14-6-5-12(10-15(14)18(20)21)11-17-8-3-2-4-13(17)7-9-19/h5-6,10,13,16,19H,2-4,7-9,11H2,1H3.
What are the key properties of 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol?
2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol has a molecular weight of 293.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62184446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).