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

C17H24N2O3 — CID 15925818

IUPAC2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(C2CCN(C3CCCCC3O)CC2)cc1
InChIInChI=1S/C17H24N2O3/c20-17-4-2-1-3-16(17)18-11-9-14(10-12-18)13-5-7-15(8-6-13)19(21)22/h5-8,14,16-17,20H,1-4,9-12H2
InChIKeyOKILAXUENZZTKR-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.08
Rot. Bonds3

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

2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 15925818) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID15925818
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(C2CCN(C3CCCCC3O)CC2)cc1
InChIInChI=1S/C17H24N2O3/c20-17-4-2-1-3-16(17)18-11-9-14(10-12-18)13-5-7-15(8-6-13)19(21)22/h5-8,14,16-17,20H,1-4,9-12H2
InChIKeyOKILAXUENZZTKR-UHFFFAOYSA-N
XLogP3.08
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.08
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-[3-(2-Nitrophenyl)-2-propen-1-yl]-2-piperidinyl}methanol
CID 6104909
2-(4-Benzylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 2877382
(4-Nitrophenyl)-(1-phenethylpiperidin-4-YL)methanol
CID 11824002
2-[4-(4-Amino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925820
2-[4-(4-Dimethylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925824
2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925826
2-[4-(2,4-Dinitro-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925830
AC1NT4X9
CID 5344976
(E)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol;hydrochloride
CID 162644452
1-[2-Dimethylamino-1-(4-nitro-phenyl)-ethyl]-cyclohexanol(HCl)
CID 13520325
1-Piperidinepropanol, alpha-(4'-nitro-4-biphenylyl)-, hydrochloride
CID 3039649
2-[4-[(4-Nitrophenyl)methyl]piperazin-1-yl]-1,2-diphenylethanol;hydrochloride
CID 90668369

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol (CID 15925818) is 2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol is O=[N+]([O-])c1ccc(C2CCN(C3CCCCC3O)CC2)cc1.
What is the InChIKey of 2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is OKILAXUENZZTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17-4-2-1-3-16(17)18-11-9-14(10-12-18)13-5-7-15(8-6-13)19(21)22/h5-8,14,16-17,20H,1-4,9-12H2.
What are the key properties of 2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol?
2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 304.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrophenyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15925818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).