[1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol

C15H20N2O3 — CID 6104909

IUPAC[1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCCCC1CO
InChIInChI=1S/C15H20N2O3/c18-12-14-8-3-4-10-16(14)11-5-7-13-6-1-2-9-15(13)17(19)20/h1-2,5-7,9,14,18H,3-4,8,10-12H2/b7-5+
InChIKeyRJVZKZOXOOVCRK-FNORWQNLSA-N
MW276.34 g/mol
LogP2.45
Rot. Bonds5

About [1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol

[1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol (PubChem CID 6104909) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol
PubChem CID6104909
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCCCC1CO
InChIInChI=1S/C15H20N2O3/c18-12-14-8-3-4-10-16(14)11-5-7-13-6-1-2-9-15(13)17(19)20/h1-2,5-7,9,14,18H,3-4,8,10-12H2/b7-5+
InChIKeyRJVZKZOXOOVCRK-FNORWQNLSA-N
XLogP2.45
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.45
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]-4-piperidinol
CID 782887
2-Ethyl-1-[3-(2-nitrophenyl)-2-propen-1-yl]piperidine
CID 5721688
2-[4-(4-Nitro-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925818
2-[4-(2,4-Dinitro-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925830
2-{[(2-Nitrophenyl)methyl]amino}ethan-1-ol
CID 21803016
{1-[3-(2-Nitrophenyl)-2-propen-1-yl]-3-piperidinyl}methanol
CID 5721733
(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
CID 40727263
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
5-[(2-Nitrophenyl)methylamino]pentan-1-ol
CID 25163872

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol (CID 6104909) is [1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol is O=[N+]([O-])c1ccccc1/C=C/CN1CCCCC1CO.
What is the InChIKey of [1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol?
The InChIKey is RJVZKZOXOOVCRK-FNORWQNLSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-12-14-8-3-4-10-16(14)11-5-7-13-6-1-2-9-15(13)17(19)20/h1-2,5-7,9,14,18H,3-4,8,10-12H2/b7-5+.
What are the key properties of [1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol?
[1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-2-yl]methanol has a molecular weight of 276.34 g/mol, XLogP of 2.45, 5 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-2-yl]methanol is sourced from PubChem (CID 6104909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).