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

C14H18N2O3 — CID 2845971

IUPAC1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol
SMILESO=[N+]([O-])c1ccccc1C=CCN1CCCC(O)C1
InChIInChI=1S/C14H18N2O3/c17-13-7-4-10-15(11-13)9-3-6-12-5-1-2-8-14(12)16(18)19/h1-3,5-6,8,13,17H,4,7,9-11H2
InChIKeyZPHKJRKWWFKLKH-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.06
Rot. Bonds4

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

1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol (PubChem CID 2845971) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol
PubChem CID2845971
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol
SMILESO=[N+]([O-])c1ccccc1C=CCN1CCCC(O)C1
InChIInChI=1S/C14H18N2O3/c17-13-7-4-10-15(11-13)9-3-6-12-5-1-2-8-14(12)16(18)19/h1-3,5-6,8,13,17H,4,7,9-11H2
InChIKeyZPHKJRKWWFKLKH-UHFFFAOYSA-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'}

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

4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine
CID 127265641
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid
CID 122040340
(2R,3R)-2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-3-carboxylic acid
CID 122124801
1-[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 91943814
N,N-dimethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1-carboxamide
CID 75514792
(2S)-2-ethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
CID 757332
1-[4-[4-[3-(2-nitrophenyl)prop-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 1376392
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
CID 56790457
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
(3S)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-ol
CID 7443091
1-[3-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one
CID 6433184

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol?
The IUPAC name of 1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol (CID 2845971) is 1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol?
The canonical SMILES for 1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol is O=[N+]([O-])c1ccccc1C=CCN1CCCC(O)C1.
What is the InChIKey of 1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol?
The InChIKey is ZPHKJRKWWFKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13-7-4-10-15(11-13)9-3-6-12-5-1-2-8-14(12)16(18)19/h1-3,5-6,8,13,17H,4,7,9-11H2.
What are the key properties of 1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol?
1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-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-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol is sourced from PubChem (CID 2845971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).