(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone

C12H15IN2O — CID 43556171

IUPAC(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C12H15IN2O/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14)6-8-15/h1-4,11H,5-8,14H2
InChIKeyIIMXMNOKSLIHAU-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.85
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone

(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone (PubChem CID 43556171) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
PubChem CID43556171
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C12H15IN2O/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14)6-8-15/h1-4,11H,5-8,14H2
InChIKeyIIMXMNOKSLIHAU-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
CID 170122418
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride
CID 119376696
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone (CID 43556171) is (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone is NC1CCN(C(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone?
The InChIKey is IIMXMNOKSLIHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14)6-8-15/h1-4,11H,5-8,14H2.
What are the key properties of (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone?
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone has a molecular weight of 330.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 43556171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).