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

C14H20N2O3 — CID 62912136

IUPAC2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
SMILESCc1ccc(N2CCCC(CCO)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-4-5-13(9-14(11)16(18)19)15-7-2-3-12(10-15)6-8-17/h4-5,9,12,17H,2-3,6-8,10H2,1H3
InChIKeyHMCAHVPMMUIBEW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.50
Rot. Bonds4

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

2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol (PubChem CID 62912136) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
PubChem CID62912136
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
SMILESCc1ccc(N2CCCC(CCO)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-4-5-13(9-14(11)16(18)19)15-7-2-3-12(10-15)6-8-17/h4-5,9,12,17H,2-3,6-8,10H2,1H3
InChIKeyHMCAHVPMMUIBEW-UHFFFAOYSA-N
XLogP2.50
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 83271881
2-[1-(2-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 63077968
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 62910930
2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]ethanol
CID 62358308
2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 55064569
2-[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 71865356
5-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-methyl-2-nitrobenzamide
CID 94797085
2-[1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-yl]ethanol
CID 66101076
5-[3-(2-aminoethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 115500524
ethane;[1-(4-nitrophenyl)piperidin-3-yl]methanol
CID 144806851

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol (CID 62912136) is 2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol is Cc1ccc(N2CCCC(CCO)C2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol?
The InChIKey is HMCAHVPMMUIBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-4-5-13(9-14(11)16(18)19)15-7-2-3-12(10-15)6-8-17/h4-5,9,12,17H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol?
2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol has a molecular weight of 264.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 62912136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).