1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone

C14H18INO — CID 65476989

IUPAC1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1Cc1ccc(I)cc1
InChIInChI=1S/C14H18INO/c1-11(17)14-4-2-3-9-16(14)10-12-5-7-13(15)8-6-12/h5-8,14H,2-4,9-10H2,1H3
InChIKeyOTLNBVNKYSTIGT-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.23
Rot. Bonds3

About 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone

1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone (PubChem CID 65476989) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone
PubChem CID65476989
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1Cc1ccc(I)cc1
InChIInChI=1S/C14H18INO/c1-11(17)14-4-2-3-9-16(14)10-12-5-7-13(15)8-6-12/h5-8,14H,2-4,9-10H2,1H3
InChIKeyOTLNBVNKYSTIGT-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.23
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

1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
CID 63846016
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
5-[(2-acetylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65340072
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone (CID 65476989) is 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone is CC(=O)C1CCCCN1Cc1ccc(I)cc1.
What is the InChIKey of 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone?
The InChIKey is OTLNBVNKYSTIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c1-11(17)14-4-2-3-9-16(14)10-12-5-7-13(15)8-6-12/h5-8,14H,2-4,9-10H2,1H3.
What are the key properties of 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone?
1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone has a molecular weight of 343.21 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone is sourced from PubChem (CID 65476989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).