2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol

C15H22N2O3 — CID 114426128

IUPAC2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol
SMILESCCC1CCNC(CC(O)c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H22N2O3/c1-2-11-7-8-16-13(9-11)10-15(18)12-3-5-14(6-4-12)17(19)20/h3-6,11,13,15-16,18H,2,7-10H2,1H3
InChIKeyATVYGZVSWCQAIS-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.80
Rot. Bonds5

About 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol

2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol (PubChem CID 114426128) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol
PubChem CID114426128
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol
SMILESCCC1CCNC(CC(O)c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H22N2O3/c1-2-11-7-8-16-13(9-11)10-15(18)12-3-5-14(6-4-12)17(19)20/h3-6,11,13,15-16,18H,2,7-10H2,1H3
InChIKeyATVYGZVSWCQAIS-UHFFFAOYSA-N
XLogP2.80
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
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-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114425940
2-(4-ethylpiperidin-2-yl)-1-(3-nitrophenyl)ethanone
CID 114425770
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(4-nitrophenyl)ethanol
CID 102894051
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 116685768
(2S)-2-[(4-nitrophenyl)methyl]azetidine
CID 118903404
1-(4-methyl-3-nitrophenyl)-2-pyrrolidin-2-ylethanol
CID 81466211
2-ethylsulfonyl-1-(4-nitrophenyl)ethanol
CID 102548736
1-(4-nitrophenyl)ethanol;1-(4-nitrophenyl)propan-1-ol
CID 87950417
(1R,3S)-1-(4-nitrophenyl)butane-1,3-diol
CID 54753607
(3R)-3-hydroxy-3-(4-nitrophenyl)propanal
CID 154717001
4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide
CID 114428072
(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol (CID 114426128) is 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol is CCC1CCNC(CC(O)c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol?
The InChIKey is ATVYGZVSWCQAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-11-7-8-16-13(9-11)10-15(18)12-3-5-14(6-4-12)17(19)20/h3-6,11,13,15-16,18H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol?
2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol has a molecular weight of 278.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 114426128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).