1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone

C15H20N2O4 — CID 86783289

IUPAC1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
SMILESCC(O)C1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N2O4/c1-11(18)14-4-2-3-9-16(14)15(19)10-12-5-7-13(8-6-12)17(20)21/h5-8,11,14,18H,2-4,9-10H2,1H3
InChIKeyDFBRNRHAVABDRV-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone

1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone (PubChem CID 86783289) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
PubChem CID86783289
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
SMILESCC(O)C1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N2O4/c1-11(18)14-4-2-3-9-16(14)15(19)10-12-5-7-13(8-6-12)17(20)21/h5-8,11,14,18H,2-4,9-10H2,1H3
InChIKeyDFBRNRHAVABDRV-UHFFFAOYSA-N
XLogP1.90
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.90
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'}

Analyze 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 63255250
(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 95353429
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-nitrophenyl)ethanone
CID 73071668
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-bromo-4-nitrophenyl)ethanone
CID 119435716
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-chloro-4-nitrophenyl)ethanone
CID 119436072
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 81483957
2-(4-nitrophenyl)-1-piperidin-1-ylethanone
CID 3594276
2-(4-nitrophenyl)-1-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 97318167
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 55564136
2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone
CID 23200937
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[4-(difluoromethylsulfonyl)phenyl]ethanone;hydrochloride
CID 119435666

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone?
The IUPAC name of 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone (CID 86783289) is 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone?
The canonical SMILES for 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone is CC(O)C1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone?
The InChIKey is DFBRNRHAVABDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(18)14-4-2-3-9-16(14)15(19)10-12-5-7-13(8-6-12)17(20)21/h5-8,11,14,18H,2-4,9-10H2,1H3.
What are the key properties of 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone?
1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone has a molecular weight of 292.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone is sourced from PubChem (CID 86783289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).