2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol

C17H23N3O5 — CID 15925830

IUPAC2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(C2CCN(C3CCCCC3O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O5/c21-17-4-2-1-3-15(17)18-9-7-12(8-10-18)14-6-5-13(19(22)23)11-16(14)20(24)25/h5-6,11-12,15,17,21H,1-4,7-10H2
InChIKeyRESIHVZCDHJATD-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.99
Rot. Bonds4

About 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol

2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 15925830) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID15925830
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(C2CCN(C3CCCCC3O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O5/c21-17-4-2-1-3-15(17)18-9-7-12(8-10-18)14-6-5-13(19(22)23)11-16(14)20(24)25/h5-6,11-12,15,17,21H,1-4,7-10H2
InChIKeyRESIHVZCDHJATD-UHFFFAOYSA-N
XLogP2.99
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-Nitrophenyl)-2-propen-1-yl]-2-piperidinyl}methanol
CID 6104909
2-[4-(4-Nitro-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925818
2-[4-(4-Amino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925820
1-[3-(2-Nitrophenyl)-2-propen-1-yl]-3-piperidinol
CID 5721725
2-[(5-Fluoro-2-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636377
1-[1-[(2-Fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 111106734
1-[2-(4-Nitrophenyl)ethyl]piperidin-3-ol
CID 279696
1-(4-Nitrophenyl)-3-piperidin-1-ylpropan-2-ol
CID 4202799
4-[4-[(4-Nitrophenyl)methyl]piperidin-1-yl]butan-2-ol
CID 12972975
[1-[2-(4-Nitrophenyl)ethyl]piperidin-2-yl]methanol
CID 22363136
2-(4-Benzylpiperidin-1-yl)-1-(4-nitrophenyl)propane-1,3-diol
CID 22449929
[(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol
CID 30842695

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol (CID 15925830) is 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol is O=[N+]([O-])c1ccc(C2CCN(C3CCCCC3O)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is RESIHVZCDHJATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c21-17-4-2-1-3-15(17)18-9-7-12(8-10-18)14-6-5-13(19(22)23)11-16(14)20(24)25/h5-6,11-12,15,17,21H,1-4,7-10H2.
What are the key properties of 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol?
2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 349.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dinitrophenyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15925830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).