(2-iodophenyl)-piperidin-1-ylmethanone

C12H14INO — CID 962070

IUPAC(2-iodophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1I)N1CCCCC1
InChIInChI=1S/C12H14INO/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2
InChIKeyRRZYEISWVSLKDI-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.92
Rot. Bonds1

About (2-iodophenyl)-piperidin-1-ylmethanone

(2-iodophenyl)-piperidin-1-ylmethanone (PubChem CID 962070) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is (2-iodophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-iodophenyl)-piperidin-1-ylmethanone
PubChem CID962070
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC Name(2-iodophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1I)N1CCCCC1
InChIInChI=1S/C12H14INO/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2
InChIKeyRRZYEISWVSLKDI-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
(2-iodophenyl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 38604389
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
2,2,2-trifluoro-1-[4-(2-iodobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108543646
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone
CID 61400654
(2-fluoro-3-iodophenyl)-pyrrolidin-1-ylmethanone
CID 164895955
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
4-(2-iodobenzoyl)piperazine-1-sulfonamide
CID 61068450
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-(piperidine-1-carbonyl)phenolate
CID 101121314

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-iodophenyl)-piperidin-1-ylmethanone (CID 962070) is (2-iodophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-iodophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-iodophenyl)-piperidin-1-ylmethanone is O=C(c1ccccc1I)N1CCCCC1.
What is the InChIKey of (2-iodophenyl)-piperidin-1-ylmethanone?
The InChIKey is RRZYEISWVSLKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of (2-iodophenyl)-piperidin-1-ylmethanone?
(2-iodophenyl)-piperidin-1-ylmethanone has a molecular weight of 315.15 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 962070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).