(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C13H17Cl2IN2O — CID 119489697

IUPAC(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(I)cc2Cl)C1.Cl
InChIInChI=1S/C13H16ClIN2O.ClH/c1-16-10-3-2-6-17(8-10)13(18)11-5-4-9(15)7-12(11)14;/h4-5,7,10,16H,2-3,6,8H2,1H3;1H
InChIKeyMORNIOGNOSUADK-UHFFFAOYSA-N
MW415.10 g/mol
LogP3.19
Rot. Bonds2

About (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119489697) has the molecular formula C13H17Cl2IN2O and a molecular weight of 415.10 g/mol. Its IUPAC name is (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119489697
Molecular FormulaC13H17Cl2IN2O
Molecular Weight415.10 g/mol
Exact Mass413.98
IUPAC Name(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(I)cc2Cl)C1.Cl
InChIInChI=1S/C13H16ClIN2O.ClH/c1-16-10-3-2-6-17(8-10)13(18)11-5-4-9(15)7-12(11)14;/h4-5,7,10,16H,2-3,6,8H2,1H3;1H
InChIKeyMORNIOGNOSUADK-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.10
LogP ≤ 53.19
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

(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772
azetidin-1-yl-(2-chloro-4-iodophenyl)methanone
CID 172647056
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
(2-chloro-4-iodophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649834
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
(2-chloro-4-iodophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649835
N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 61107146
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119489697) is (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2ccc(I)cc2Cl)C1.Cl.
What is the InChIKey of (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is MORNIOGNOSUADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O.ClH/c1-16-10-3-2-6-17(8-10)13(18)11-5-4-9(15)7-12(11)14;/h4-5,7,10,16H,2-3,6,8H2,1H3;1H.
What are the key properties of (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 415.10 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119489697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).