(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C14H19IN2O2 — CID 107732049

IUPAC(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C14H19IN2O2/c1-16-8-10-3-2-6-17(9-10)14(19)12-7-11(15)4-5-13(12)18/h4-5,7,10,16,18H,2-3,6,8-9H2,1H3
InChIKeyWKDSVNWQOIAXRC-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.07
Rot. Bonds3

About (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 107732049) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID107732049
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C14H19IN2O2/c1-16-8-10-3-2-6-17(9-10)14(19)12-7-11(15)4-5-13(12)18/h4-5,7,10,16,18H,2-3,6,8-9H2,1H3
InChIKeyWKDSVNWQOIAXRC-UHFFFAOYSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[3-(bromomethyl)piperidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732597
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
(2-hydroxy-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205284
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732190
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 107732049) is (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2cc(I)ccc2O)C1.
What is the InChIKey of (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is WKDSVNWQOIAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-16-8-10-3-2-6-17(9-10)14(19)12-7-11(15)4-5-13(12)18/h4-5,7,10,16,18H,2-3,6,8-9H2,1H3.
What are the key properties of (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 374.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107732049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).