(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride

C12H15Cl2IN2O — CID 119378772

IUPAC(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(I)cc2Cl)C1
InChIInChI=1S/C12H14ClIN2O.ClH/c13-11-6-8(14)3-4-10(11)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeyMEXDHWBCINXBIY-UHFFFAOYSA-N
MW401.08 g/mol
LogP2.93
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride (PubChem CID 119378772) has the molecular formula C12H15Cl2IN2O and a molecular weight of 401.08 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
PubChem CID119378772
Molecular FormulaC12H15Cl2IN2O
Molecular Weight401.08 g/mol
Exact Mass399.96
IUPAC Name(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(I)cc2Cl)C1
InChIInChI=1S/C12H14ClIN2O.ClH/c13-11-6-8(14)3-4-10(11)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeyMEXDHWBCINXBIY-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.08
LogP ≤ 52.93
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-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride
CID 119378331
azetidin-1-yl-(2-chloro-4-iodophenyl)methanone
CID 172647056
(3-aminopiperidin-1-yl)-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119380155
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
(3-aminopiperidin-1-yl)-(2,4-dichloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119378938
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732190
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride (CID 119378772) is (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2ccc(I)cc2Cl)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride?
The InChIKey is MEXDHWBCINXBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN2O.ClH/c13-11-6-8(14)3-4-10(11)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride has a molecular weight of 401.08 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride is sourced from PubChem (CID 119378772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).