(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C14H18INO2 — CID 63980357

IUPAC(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C14H18INO2/c1-18-10-11-6-8-16(9-7-11)14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3
InChIKeyIYUVLSWWPHSIJB-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.79
Rot. Bonds3

About (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 63980357) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID63980357
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C14H18INO2/c1-18-10-11-6-8-16(9-7-11)14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3
InChIKeyIYUVLSWWPHSIJB-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63972261
N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557706
[4-(1,3-benzothiazol-2-yloxymethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 121106001
(2-iodophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61245242
2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 108932663
(2,3-dihydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114344445
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64598036
[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979240
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 63980357) is (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2ccccc2I)CC1.
What is the InChIKey of (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is IYUVLSWWPHSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-18-10-11-6-8-16(9-7-11)14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3.
What are the key properties of (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 359.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63980357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).