1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol

C12H15IN2O3 — CID 103761636

IUPAC1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccc([N+](=O)[O-])c(I)c2)CC1
InChIInChI=1S/C12H15IN2O3/c1-12(16)4-6-14(7-5-12)9-2-3-11(15(17)18)10(13)8-9/h2-3,8,16H,4-7H2,1H3
InChIKeyWSRKWLITNZSDPI-UHFFFAOYSA-N
MW362.17 g/mol
LogP2.55
Rot. Bonds2

About 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol

1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol (PubChem CID 103761636) has the molecular formula C12H15IN2O3 and a molecular weight of 362.17 g/mol. Its IUPAC name is 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol
PubChem CID103761636
Molecular FormulaC12H15IN2O3
Molecular Weight362.17 g/mol
Exact Mass362.01
IUPAC Name1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccc([N+](=O)[O-])c(I)c2)CC1
InChIInChI=1S/C12H15IN2O3/c1-12(16)4-6-14(7-5-12)9-2-3-11(15(17)18)10(13)8-9/h2-3,8,16H,4-7H2,1H3
InChIKeyWSRKWLITNZSDPI-UHFFFAOYSA-N
XLogP2.55
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodo-4-nitrophenyl)-3-methylpiperidin-3-ol
CID 113343726
1-(3-iodo-4-nitrophenyl)-3,3-dimethylpyrrolidine
CID 103704702
1-[5-(4-hydroxy-4-methylpiperidin-1-yl)-2-nitrophenyl]ethanone
CID 104613685
1-(3-iodo-4-nitrophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150517
5-(4-hydroxy-4-methylazepan-1-yl)-2-nitrobenzoic acid
CID 107404900
1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol
CID 106670917
1-(3-iodo-4-nitrophenyl)-4-propan-2-ylpiperazine
CID 47279827
4-(3-iodo-4-nitrophenyl)piperazine-2,6-dione
CID 106494572
(3R)-1-(3-iodo-4-nitrophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 166150000
4-ethyl-1-(3-iodo-4-nitrophenyl)azepane
CID 106494505
1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol
CID 81116432
3-methyl-1-(4-nitro-3-propan-2-yloxyphenyl)azetidin-3-ol
CID 83012387

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol (CID 103761636) is 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2ccc([N+](=O)[O-])c(I)c2)CC1.
What is the InChIKey of 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol?
The InChIKey is WSRKWLITNZSDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3/c1-12(16)4-6-14(7-5-12)9-2-3-11(15(17)18)10(13)8-9/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol?
1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol has a molecular weight of 362.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 103761636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).