[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride

C14H20ClIN2O — CID 119435517

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccccc1I.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-10(16)13-8-4-5-9-17(13)14(18)11-6-2-3-7-12(11)15;/h2-3,6-7,10,13H,4-5,8-9,16H2,1H3;1H
InChIKeyCUBKPAYQJWYKPI-UHFFFAOYSA-N
MW394.68 g/mol
LogP3.05
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride (PubChem CID 119435517) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
PubChem CID119435517
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccccc1I.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-10(16)13-8-4-5-9-17(13)14(18)11-6-2-3-7-12(11)15;/h2-3,6-7,10,13H,4-5,8-9,16H2,1H3;1H
InChIKeyCUBKPAYQJWYKPI-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 53.05
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

[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592
[2-(1-aminoethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone;hydrochloride
CID 119437459
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119435609
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone
CID 124569507
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride (CID 119435517) is [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride is CC(N)C1CCCCN1C(=O)c1ccccc1I.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride?
The InChIKey is CUBKPAYQJWYKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O.ClH/c1-10(16)13-8-4-5-9-17(13)14(18)11-6-2-3-7-12(11)15;/h2-3,6-7,10,13H,4-5,8-9,16H2,1H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride has a molecular weight of 394.68 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride is sourced from PubChem (CID 119435517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).