1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol

C14H20N2O3 — CID 106837285

IUPAC1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol
SMILESCc1ccc([N+](=O)[O-])cc1N1CCC(C(C)O)CC1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-13(16(18)19)9-14(10)15-7-5-12(6-8-15)11(2)17/h3-4,9,11-12,17H,5-8H2,1-2H3
InChIKeyXPYJTAUIKVOXRL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.50
Rot. Bonds3

About 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol

1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol (PubChem CID 106837285) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol
PubChem CID106837285
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol
SMILESCc1ccc([N+](=O)[O-])cc1N1CCC(C(C)O)CC1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-13(16(18)19)9-14(10)15-7-5-12(6-8-15)11(2)17/h3-4,9,11-12,17H,5-8H2,1-2H3
InChIKeyXPYJTAUIKVOXRL-UHFFFAOYSA-N
XLogP2.50
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 62589225
5-nitro-2-(4-propan-2-ylpiperidin-1-yl)benzaldehyde
CID 103497725
1-[1-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]piperidin-4-yl]ethanol
CID 106836482
(2-fluoro-5-nitrophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835769
4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-nitrobenzoic acid
CID 106836203
1-(2-methyl-5-nitrophenyl)azetidin-3-amine
CID 65249583
3-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
CID 79736390
3-[4-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 111113845
1-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]ethanol
CID 113234220
2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methylbenzonitrile
CID 106835908
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 103677808
4-ethyl-1-(2-methyl-5-nitrophenyl)piperidine-2-carboxylic acid
CID 114427517

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol (CID 106837285) is 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol is Cc1ccc([N+](=O)[O-])cc1N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol?
The InChIKey is XPYJTAUIKVOXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-4-13(16(18)19)9-14(10)15-7-5-12(6-8-15)11(2)17/h3-4,9,11-12,17H,5-8H2,1-2H3.
What are the key properties of 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol?
1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol has a molecular weight of 264.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106837285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).