[3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol

C18H19ClN2O4 — CID 133438594

IUPAC[3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C18H19ClN2O4/c19-15-3-1-2-4-18(15)25-14-7-9-20(10-8-14)17-11-13(12-22)5-6-16(17)21(23)24/h1-6,11,14,22H,7-10,12H2
InChIKeySLIFWNHRZQPGPF-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.79
Rot. Bonds5

About [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol

[3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol (PubChem CID 133438594) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol
PubChem CID133438594
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name[3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C18H19ClN2O4/c19-15-3-1-2-4-18(15)25-14-7-9-20(10-8-14)17-11-13(12-22)5-6-16(17)21(23)24/h1-6,11,14,22H,7-10,12H2
InChIKeySLIFWNHRZQPGPF-UHFFFAOYSA-N
XLogP3.79
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol 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-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine
CID 133391038
4-(2-chlorophenoxy)-1-(4-methylsulfonyl-2-nitrophenyl)piperidine
CID 133390911
[3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133437902
[3-[4-(N-methylanilino)piperidin-1-yl]-4-nitrophenyl]methanol
CID 133437687
[3-(4-ethenylpiperidin-1-yl)-4-nitrophenyl]methanol
CID 133437724
(4-chlorophenyl)-[1-[5-(hydroxymethyl)-2-nitrophenyl]piperidin-4-yl]methanol
CID 133437706
[3-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]methanol
CID 133437927
2,2,2-trifluoro-1-[1-[5-(hydroxymethyl)-2-nitrophenyl]piperidin-4-yl]ethanol
CID 133438430
[3-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133438012
[4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol
CID 133438802
methyl (3S)-1-[5-(hydroxymethyl)-2-nitrophenyl]piperidine-3-carboxylate
CID 133438070
[3-[3-(azepan-1-yl)piperidin-1-yl]-4-nitrophenyl]methanol
CID 133437679

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol?
The IUPAC name of [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol (CID 133438594) is [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol is O=[N+]([O-])c1ccc(CO)cc1N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol?
The InChIKey is SLIFWNHRZQPGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c19-15-3-1-2-4-18(15)25-14-7-9-20(10-8-14)17-11-13(12-22)5-6-16(17)21(23)24/h1-6,11,14,22H,7-10,12H2.
What are the key properties of [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol?
[3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol has a molecular weight of 362.81 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol is sourced from PubChem (CID 133438594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).