1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride

C15H22ClIN2O — CID 119435228

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)Cc1cccc(I)c1.Cl
InChIInChI=1S/C15H21IN2O.ClH/c1-11(17)14-7-2-3-8-18(14)15(19)10-12-5-4-6-13(16)9-12;/h4-6,9,11,14H,2-3,7-8,10,17H2,1H3;1H
InChIKeyYECWLYSEUVRJPW-UHFFFAOYSA-N
MW408.71 g/mol
LogP2.98
Rot. Bonds3

About 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride (PubChem CID 119435228) has the molecular formula C15H22ClIN2O and a molecular weight of 408.71 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride
PubChem CID119435228
Molecular FormulaC15H22ClIN2O
Molecular Weight408.71 g/mol
Exact Mass408.05
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)Cc1cccc(I)c1.Cl
InChIInChI=1S/C15H21IN2O.ClH/c1-11(17)14-7-2-3-8-18(14)15(19)10-12-5-4-6-13(16)9-12;/h4-6,9,11,14H,2-3,7-8,10,17H2,1H3;1H
InChIKeyYECWLYSEUVRJPW-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.71
LogP ≤ 52.98
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

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-bromophenyl)propan-1-one;hydrochloride
CID 119436240
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 119434544
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone;hydrochloride
CID 119436366
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 63255250
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[4-(difluoromethylsulfonyl)phenyl]ethanone;hydrochloride
CID 119435666
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-nitrophenyl)propan-1-one;hydrochloride
CID 119434799
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119434426
1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 67902362
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride
CID 119437719
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride (CID 119435228) is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride is CC(N)C1CCCCN1C(=O)Cc1cccc(I)c1.Cl.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride?
The InChIKey is YECWLYSEUVRJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O.ClH/c1-11(17)14-7-2-3-8-18(14)15(19)10-12-5-4-6-13(16)9-12;/h4-6,9,11,14H,2-3,7-8,10,17H2,1H3;1H.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride?
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride has a molecular weight of 408.71 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride is sourced from PubChem (CID 119435228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).