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

C12H15Cl2IN2O — CID 119376696

IUPAC(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1
InChIInChI=1S/C12H14ClIN2O.ClH/c13-10-2-1-8(7-11(10)14)12(17)16-5-3-9(15)4-6-16;/h1-2,7,9H,3-6,15H2;1H
InChIKeyQZLSQZNZPPQPCT-UHFFFAOYSA-N
MW401.08 g/mol
LogP2.93
Rot. Bonds1

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

(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride (PubChem CID 119376696) has the molecular formula C12H15Cl2IN2O and a molecular weight of 401.08 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride
PubChem CID119376696
Molecular FormulaC12H15Cl2IN2O
Molecular Weight401.08 g/mol
Exact Mass399.96
IUPAC Name(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1
InChIInChI=1S/C12H14ClIN2O.ClH/c13-10-2-1-8(7-11(10)14)12(17)16-5-3-9(15)4-6-16;/h1-2,7,9H,3-6,15H2;1H
InChIKeyQZLSQZNZPPQPCT-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

(4-chloro-3-iodophenyl)-piperazin-1-ylmethanone
CID 119403690
1-(4-chloro-3-iodobenzoyl)piperidin-4-one
CID 67568903
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(4-chloro-3-iodophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119639188
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
(4-chloro-3-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039261
[4-(2-aminoethyl)piperidin-1-yl]-(3-chloro-4-iodophenyl)methanone
CID 103209483
(3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone
CID 103209522
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride (CID 119376696) is (4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride?
The InChIKey is QZLSQZNZPPQPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN2O.ClH/c13-10-2-1-8(7-11(10)14)12(17)16-5-3-9(15)4-6-16;/h1-2,7,9H,3-6,15H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(4-chloro-3-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 (4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride is sourced from PubChem (CID 119376696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).