1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol

C14H18N2O3 — CID 782887

IUPAC1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCC(O)CC1
InChIInChI=1S/C14H18N2O3/c17-13-7-10-15(11-8-13)9-3-5-12-4-1-2-6-14(12)16(18)19/h1-6,13,17H,7-11H2/b5-3+
InChIKeyITQBRKVMOQMIHO-HWKANZROSA-N
MW262.31 g/mol
LogP2.06
Rot. Bonds4

About 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol

1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol (PubChem CID 782887) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol
PubChem CID782887
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCC(O)CC1
InChIInChI=1S/C14H18N2O3/c17-13-7-10-15(11-8-13)9-3-5-12-4-1-2-6-14(12)16(18)19/h1-6,13,17H,7-11H2/b5-3+
InChIKeyITQBRKVMOQMIHO-HWKANZROSA-N
XLogP2.06
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.06
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
4-Methyl-1-(2-nitro-benzyl)-piperidine
CID 15153360
2-Ethyl-1-[3-(2-nitrophenyl)-2-propen-1-yl]piperidine
CID 5721688
3,5-Dimethyl-1-[3-(2-nitrophenyl)-2-propen-1-yl]piperidine
CID 5721718
{1-[3-(2-Nitrophenyl)-2-propen-1-yl]-3-piperidinyl}methanol
CID 5721733
Cambridge id 5424619
CID 782817
2-[Benzyl(3-nitrobenzyl)amino]ethanol
CID 783452
1-[3-(2-Nitrophenyl)-2-propen-1-yl]piperidine
CID 783484
2-Methyl-1-[3-(2-nitrophenyl)-2-propen-1-yl]piperidine
CID 5339411
3-Methyl-1-[3-(2-nitrophenyl)-2-propen-1-yl]piperidine
CID 5721715
1-[4-Nitro-2-(trifluoromethyl)phenyl]piperidin-3-ol
CID 2888486
4-[(2-Nitrophenyl)methylamino]butan-1-ol
CID 25161742

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol?
The IUPAC name of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol (CID 782887) is 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol.
What is the SMILES notation for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol?
The canonical SMILES for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol is O=[N+]([O-])c1ccccc1/C=C/CN1CCC(O)CC1.
What is the InChIKey of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol?
The InChIKey is ITQBRKVMOQMIHO-HWKANZROSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13-7-10-15(11-8-13)9-3-5-12-4-1-2-6-14(12)16(18)19/h1-6,13,17H,7-11H2/b5-3+.
What are the key properties of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol?
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol has a molecular weight of 262.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-4-ol is sourced from PubChem (CID 782887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).